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  • 1
    Electronic Resource
    Electronic Resource
    Crystal Structures of 1,3-Calix[4]-bis-crown-6·3CH3CN and 1,3-Calix[4]-bis-(benzo-crown-6)·3 CH3CN (1997)
    Springer
    Journal of inclusion phenomena and macrocyclic chemistry 27 (1997), S. 169-178 
    Details
    ISSN: 1573-1111
    Keywords: Bridged calix[4]arene ; ditopic receptor ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract The crystal structures of a new solvate of the ditopic receptor 1,3-calix[4]-bis-crown-6, Bis-C6, and of 1,3-calix[4]-bis-(benzo-crown-6), Bis-benzoC6, are reported. Bis-C6.3 CH3CN (1) crystallizes in the monoclinic space group P21/n, a = 14.388(3), b = 26.947(8), c = 14.707(4) Å, β = 113.19(3)°, V = 5241(5) Å3, Z = 4. Refinement led to a final conventional R value of 0.092 for 2723 reflections. The structure of (1) differs from the previously reported structure of Bis-C6.4 CH3CN by the conformation of one crown either chain. Two acetonitrile molecules are in the close neighbourhood of the crown ether cavities. Bis-benzoC6.3 CH3CN (2) crystallizes in the monoclinic space group P21/c, a = 10.391(4), b = 17.264(11), c = 30.426(9) Å, β = 94.62(3)°, V = 5440(7) Å3, Z = 4. Refinement led to a final conventional R value of 0.106 for 2965 reflections. Two acetonitrile molecules are located near the crown ether cavities, as in (1). One of the crown ether conformations is the same as in the binuclear caesium complex of Bis-benzoC6, supporting the hypothesis of a preorganization of this ligand towards the complexation of this ion; the second crown ether chain is partially disordered.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1007990208036
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  • 2
    Electronic Resource
    Electronic Resource
    X-Ray Structure and Proton NMR Study of a Hexacoordinated Lithium Complex (1997)
    Springer
    Journal of inclusion phenomena and macrocyclic chemistry 28 (1997), S. 125-140 
    Details
    ISSN: 1573-1111
    Keywords: X-ray ; crystal structure ; Li-complex ; triamides ; 1H-NMR
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract The structure of the lithium complex with1,3,5-tris[oxymethylene(N,N-dicyclohexyl)carboxyamido]cyclohexanehas been determined by the X-ray method.The compound is triclinic, space group P¯1,a = 15.623(3), b = 19.279(4),c = 19.295(4)Å α = 102.32(3), β = 92.45(3),γ = 105.67(3)0, V = 5436(2)Å3, Z = 4. Itscomposition is represented by the formulaC48H82N3O6LiI 0.5H2O. The lithium cationis encapsulated in a polar pseudo-cavity of six oxygen atoms of the ligandmolecule and displays a distorted trigonal prism coordination. The conformationof the ligand in the solid state complex has been compared with the conformationof the complex in solution determined by 1H-NMR measurements. Supplementary data relevant to this publication have been deposited with the British Library, No. SUP 82224 (21 pages).
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1007955923966
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  • 3
    Electronic Resource
    Electronic Resource
    Synthesis of Two New Glycophanes Comprised of Thioglucose Molecules Linked by Hydrocarbons (1997)
    Springer
    Journal of inclusion phenomena and macrocyclic chemistry 29 (1997), S. 335-346 
    Details
    ISSN: 1573-1111
    Keywords: Glycophane ; macrocycle ; carbohydrate ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract Preparation of two new glycophanes is reported. These compounds arecomprised of two glucose molecules linked by hydrocarbon units at the 1,1′ and 3, 3′ or 3, 3′ and 6, 6′ positions. Thecrystal structure of one of the glycophanes is also described.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1007952822709
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  • 4
    Electronic Resource
    Electronic Resource
    Polymorphism of Inclusion Complexes and Unsolvated Hosts. V. Crystal Structure of the α-Dimorph of the 1 : 2 Dianilinegossypol–DMSO Complex and a 1 : 1 : 1 Inclusion Complex Based on a Mixed Dianilinegossypol/1,4-Dioxane Host Matrix and 1,2-Dichloroethane Guest (1997)
    Springer
    Journal of inclusion phenomena and macrocyclic chemistry 29 (1997), S. 23-32 
    Details
    ISSN: 1573-1111
    Keywords: Dianilinegossypol ; crystal structure ; host–guest complexes ; H-bond ; α- and β-dimorphs
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract Dianilinegossypol forms a 1 : 2 host-guest complex with DMSO:monoclinic, space group P21/n, a = 8.522(3), b = 18.034(4), c= 28.462(6) Å, β = 94.14(2)°, V = 4362Å3, Z = 4, D x = 1.26 g cm-3, T = 295 K.Final R value is 0.102 for 1793 observed reflections. A 1 : 1 : 1 adduct ofdianilinegossypol with 1,4-dioxane and 1,2-dichloroethane is found to beisostructural with the dianilinegossypol complex with DMSO: monoclinic,space group P21/n, a = 8.281(2), b = 19.245(3), c = 27.970(7)Å, β = 95.18°, V = 4439 Å3, Z = 4, D x =1.28 g cm-3, T = 295 K. Final R value is 0.114 for 2458observed reflections.The host molecules are associated by O(4)—H ...O(3) H-bonds toinfinite chains running in the direction of the c-axis The chains areincorporated into layers through 1,4-dioxane or DMSO molecules havingH-bonds with dianilinegossypol molecules. Another DMSO or 1,2-dichloroethanemolecule is included as a guest in the channels formed between the layers.At 60 °C a cryptate-type inclusion complex of dianilinegossypol isformed with DMSO or 1,4-dioxane. It is isostructural with the acetonecomplex reported in Part IV of the present series.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1007992116261
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  • 5
    Electronic Resource
    Electronic Resource
    p-tert-Butylcalix[5]arene: a New Synthetic Pathway and Crystal Structure of the N,N-Dimethylformamide Complex (1997)
    Springer
    Journal of inclusion phenomena and macrocyclic chemistry 29 (1997), S. 175-185 
    Details
    ISSN: 1573-1111
    Keywords: p-tert-Butylcalix[5]arene ; synthesis ; complexation ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract The formation of p-tert-butylcalix[5]arene by the opening ofp-tert-butyldihomooxacalix [4]arene and the addition of a monomer has beenstudied. Various facets, including the effects of bases and the nature ofthe monomer added to the p-tert-butyldihomooxacalix[4]arene, have beeninvestigated. p-tert-Butylcalix[5]arene can be prepared in yields up to30%. The structure of its 1 : 2 complex with DMF has been determinedby X-ray crystallography. Crystals are triclinic, space group P¯1, a =1428.2(3) pm, b = 1837.3(3) pm, c = 1276.1(2) pm, α = 108.98(1)°,β = 105.02(2)°, γ = 95.21(1)°, Z = 2, D c = 1.059 kg m-3,final R value = 0.087. The macrocycle adopts a cone conformation, one guestenclosed inside the cavity, the other one outside.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1007907525620
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  • 6
    Electronic Resource
    Electronic Resource
    Crystal Structure of a Uranyl/p-tert-Butylcalix[5]arene Complex (1997)
    Springer
    Journal of inclusion phenomena and macrocyclic chemistry 27 (1997), S. 13-20 
    Details
    ISSN: 1573-1111
    Keywords: Uranyl complexes ; calixarenes ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract The synthesis and crystal structure of the inclusion complex between uranyl and p-tert-butylcalix[5]arene are reported. [UO2 (p-tert-butylcalix[5]arene-4H]2- · $${\text{2HNE}}_{{\text{t}}_{\text{3}} }^{\text{ + }} $$ &·2MeOH(1) crystallizes in the monoclinic space group C2/c, a = 30.06(2), b = 18.20(3), c = 31.35(2) Å, β = 128.51(6)°, V = 13423(40) Å3, Z = 8. Refinement led to a final conventional R value of 0.043 for 4155 reflections. The uranyl ion is bonded, in its equatorial plane, to the five oxygen atoms of the calixarene, four of which are deprotonated. A protonated triethylamine molecule is located inside the calixarene cavity and hydrogen bonded to a uranyl oxygen atom, and another one outside and hydrogen bonded to a calixarene oxygen atom. The calixarene conformation is the usual cone one.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1007938218723
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  • 7
    Electronic Resource
    Electronic Resource
    Polymorphism of Inclusion Complexes and Unsolvated Hosts. II. Structure of the β-Dimorph of the Host-Guest Complex of Dianilinegossypol with Ethylacetate (1997)
    Springer
    Journal of inclusion phenomena and macrocyclic chemistry 27 (1997), S. 105-112 
    Details
    ISSN: 1573-1111
    Keywords: β-Dimorph ; crystal structure ; dianilinegossypol ethylacetate 1 : 1 clathrate ; packing motifs
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract Depending on crystallization conditions, dianilinegossypol and ethylacetate form low (ambient temperature, α-phase) and high temperature (t = 35°C, β-phase) clathrate modifications. The structure of the α-phase has been discussed earlier [1]. Crystals of the 1 : 1 β-phase complex, C42H40O6N2·C4O2H8, are monoclinic, space group P21/c, a = 11.362(6), b = 19.479(9), c = 19.085(9) Å, β = 103.21(4)°, V = 4112(3)Å3, Z = 4, R = 0.084 for 3210 observed reflections. In these complexes centrosymmetric dimers of dianilinegossypol molecules formed via O(5)—H···O(3) hydrogen bonds are associated into columns by a weak O(8)—H···O(7) H-bond. A difference in the structure of these two phases is in the packing mode of the columns. The angle formed by intersecting host columns is about 126° for the α-phase and 104° for the β-modification. Guest molecules are hydrogen bonded to the host molecules via an O(1)—H···O(10) bond and are accommodated in channels in α-phase complex and in cavities in β-phase complex.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1007908530132
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  • 8
    Electronic Resource
    Electronic Resource
    Synthesis, Structure and Alkali Metal Ion Binding Properties of a Podand Polyether Derived from Calix[4]arene, 5,11,17,23-tetra-tert-butyl-25,27-di(phenylmethoxy)-26,28-di(2‘-methoxyethoxy)-calix[4]arene (1997)
    Springer
    Journal of inclusion phenomena and macrocyclic chemistry 27 (1997), S. 291-302 
    Details
    ISSN: 1573-1111
    Keywords: Calix[4]arene ; polyether ; crystal structure ; alkali metal ion binding
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract The ligand 5,11,17,23-tetra-t-butyl-25,27-di(phenylmethoxy)-26,28-di(2-methoxy-ethoxy)calix[4]arene,designed as an analogue of some calixcrown speciesin order to evaluate possible origins of their selectivity in alkali metal ion binding, has been synthesised and structurally characterised by X-ray crystallography. The crystals are monoclinic, P21/n, a = 15.940(6), b = 19.388(5), c = 20.020(5) Å,β = 109.10(2) deg., Z = 4, conventional R on |F| being 0.073 for 3454 independent, ’observed‘ (I 〉 3σ(I)) reflections. 1H-NMR studies in 1:1 CD3CN/CDCl3solvent have shown that the ligand exerts a strong preference for the lighteralkali metal ions (Li+ and Na+) contrary to the binding behaviour of knowncalixcrowns. This may reflect interactions restricted to the lower rim donor atoms without concomitant interaction with the calixarene π-electrons, perhaps because the latter interactions are substituted by those with the benzyl group π-electrons.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1007981710765
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  • 9
    Electronic Resource
    Electronic Resource
    Inclusion Compounds of NaI with 13-Membered Azo- and Azoxycrown Ethers (1997)
    Springer
    Journal of inclusion phenomena and macrocyclic chemistry 28 (1997), S. 17-32 
    Details
    ISSN: 1573-1111
    Keywords: Azocrown ether ; azoxycrown ether ; sodium complexes ; crystal structure ; X-ray analysis ; conformation
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract Sodium iodide complexes of 13-membered azo-(I)and azoxycrown ethers (II) have been synthesized. Compound I[Na(L1 trans)2]⋅I⋅H2O is triclinic witha = 11.53(2), b = 15.74(2), c = 19.17(2) Å,α = 98.93(9), β = 105.51(9),γ = 89.20(9) deg.; Z = 4, space groupP1. Compound II [Na(L2)2]⋅I is orthorhombic witha = 12.451(2), b = 13.796(3), c = 18.667(4)Å; Z = 4, space group P212121. In bothcomplexes the cation is coordinated tochain oxygen atoms and to one nitrogen atom of the azoor azoxy unit. The ability of bothligands to form complexes in relation to thegeometry of the azo or azoxy subunit of themacrocycle is discussed.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1007929726695
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  • 10
    Electronic Resource
    Electronic Resource
    Synthesis and Characterization of the Isocyanide Ligated Centered Zirconium Halide Cluster [(Zr6Be)Cl12(CNXyl)6] (1997)
    Springer
    Journal of cluster science 8 (1997), S. 521-531 
    Details
    ISSN: 1572-8862
    Keywords: Zirconium clusters ; isocyanide ; synthesis ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Physics
    Notes: Abstract The first isocyanide ligated hexanuclear zirconium halide cluster is reported. The unoxidized [(Zr6Be)Cl12(CNXyl)6] (CNXyl = 2,6-dimethylphenyl isocyanide) was obtained from the solid state precursor K3Zr6Cl15Be by dissolution in CH3CN in the presence of CNXyl. The CNXyl ligands occupy all the axial positions on the cluster. The compound was recrystallized from CH2Cl2 and Et2O. [(Zr6Be)Cl12(CNXyl)6].2CH2Cl2 crystallizes in the space group $${\text{P}}\overline {\text{1}} $$ (#2) with a = 12.092(5) Å, b=12.728(5) Å, c = 14.102(8) Å, α = 104.98(4)°, β =107.11°, γ = 100.94°, V = 1919(2) Å3, Z = l, R = 11.3% and R W = 27.0%. For the bound isocyanide ligands, v CN increases to 2140 cm−1.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1022605113866
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  • 11
    Electronic Resource
    Electronic Resource
    Reactions of the Dirhenium(II) Complexes Re2 X 4(μ-dppm)2 (X=Cl, Br; dppm=Ph2PCH2PPh2) with Isocyanides. Part XV: A Fifth Structural Isomer of the [Re2Cl3(μ-dppm)2(CO)(CNXyl)2]+ Cation (Xyl = 2, 6-Dimethylphenyl) (1997)
    Springer
    Journal of cluster science 8 (1997), S. 547-551 
    Details
    ISSN: 1572-8862
    Keywords: Rhenium ; dirhenium complexes ; rhenium–rhenium multiple bonds ; isocyanide ligands ; carbonyl ligand ; structural isomers ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Physics
    Notes: Abstract The reaction of the unsymmetrical, coordinatively unsaturated dirhenium(II) complex [(XylNC)(OC)CIRe(μ-dppm)2ReCl2]O3SCF3 (dppm = Ph2PCH2PPh2) with one equivalent of XylNC in CH2Cl2 affords a fifth structural isomer of the [Re2Cl3(μ-dppm)2(CO)(CNXyl)2] + cation; this is believed to have a CO-bridged structure of the type [(XylNC)ClRe(μ-Cl)(μ-CO)(μ-dppm)2ReCl(CNXyl)]+. The latter complex reacts with a further equivalent of XylNC in the presence of Tl+ to form the [Re2Cl2(μ-dppm)2(CO)(CNXyl)3]2+ cation, which has been shown by IR spectroscopy, and by the X-ray crystallographic characterization of its neutral congener Re2Cl2(μ-dppm)2(CO)(CNXyl)3, to contain a very weak and unsymmetrical CO bridge.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1022609214775
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  • 12
    Electronic Resource
    Electronic Resource
    Synthesis and structure of 5-methoxy-4-methylbenzopsoralen (1997)
    Springer
    Structural chemistry 8 (1997), S. 453-457 
    Details
    ISSN: 1572-9001
    Keywords: Benzopsoralen ; photochemotherapeutic agent ; crystal structure ; molecular mechanics ; AM1 theoretical calculations
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract 5-Methoxy-4-methyl-2H-benzofuro[3,2-g]benzo-1-pyran-2-one was synthesized and its crystal structure was determined and compared with the optimal conformation arrived at by MM and AM1 theoretical calculations. The latter indicated that the tetracyclic skeleton is planar with total length (C2–C8) 9.23 å, and that the line joining the conters of the terminal-benzene and furan rings makes an angle of 30.5
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF02311704
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  • 13
    Electronic Resource
    Electronic Resource
    Structures and tautomeric interconversions of anthraquinone imine derivatives (1997)
    Springer
    Structural chemistry 8 (1997), S. 197-204 
    Details
    ISSN: 1572-9001
    Keywords: Tautomerism ; anthraquinone ; crystal structure ; semiempirical computations
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract Substituted 1-hydroxy-9,10-anthraquinone-9-imines have been found to exhibit tautomeric interconversions between the 9,10- and 1,10-quinonoid forms in the solid state as well as in solution. Single-crystal X-ray crystallography was used to study the structures of 4-(N-acetyl-p-tolylamino)-9-amino-1,10-anthracenedione and 4-hydroxy-1-phenylamino-10-mesitylimino-9(10H)-anthracenone at ambient and low temperatures. The former compound gave crystals belonging to the monoclinic space group P2l/c and, at 295 K,a=9.684(2),b=16.371(3),c=12.097(2) å,Β=110.41(1)
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF02263507
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  • 14
    Electronic Resource
    Electronic Resource
    Thermal latent coordination compounds (1997)
    Springer
    Journal of thermal analysis and calorimetry 50 (1997), S. 569-586 
    Details
    ISSN: 1572-8943
    Keywords: crystal structure ; metal(II) picolinate and quinaldinate ; thermal degradation of imidazole and pyrazole complexes
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract Complexes of the type M(Pa)2(HAz)2 and M(QA)2(HAz)2 (M=cobalt(II) and nickel(II); HPa=picolinic acid, HQa=quinaldic acid; HAz=azoles like imidazole (Him), pyrazole (HPz), benzimidazole (HBzIm) etc.) show a similar thermal behaviour. In the first step of decomposition the corresponding azolinium picolinates or quinaldinates (H2AzPa, H2AzQa) are split off with formation of polymeric mixed ligand complexes M(Pa)(Az) or M(Qa)(Az). X-ray analysis of Co(Qa)2(HBzIm)2 XIIIa illustrates a proton transfer and a subsequent thermal removal of benzimidazolinium quinaldinate (H2BzImQa): Hydrogen bridges from pyrrole nitrogen of the benzimidazole to the non-coordinated oxygen of the quinaldinate predetermine the thermal initiated proton transfer. The high volatility of the heterocyclic acids and the nitrogen coordination are responsible for the formation of the mixed ligand complex Co(Qa)(BzIm) XIVa. Exceptions are the complexes M(Pa)2(HPz)2 XIa-b and M(Qa)2(HIm)2 XVIIa-b. Pyrazole is eliminated from the complexes XIa-b with formation of the solvent-free inner complex M(Pa)2 XIIa-b. From compounds XVIIIa-b quinaldic acid or their decomposition products are split off and a high temperature modification of M(Im)2 XVIIIa-b is formed at elevated temperature. XVIIIa-b are decomposed to the cyanides M(CN)2 similarly to the thermal behaviour of Cu(Im). In the first step the thermal degradation of imidazole and pyrazole adducts of copper(II) picolinates and quinaldinates is characterized by the elimination of azoles. The reason for this thermal behaviour is the weaker coordination of the azole heterocycles in copper chelate compounds.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01979029
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  • 15
    Electronic Resource
    Electronic Resource
    The molecular complex of dibenz[a,c]anthracene and trinitrobenzene (1997)
    Springer
    Structural chemistry 8 (1997), S. 141-147 
    Details
    ISSN: 1572-9001
    Keywords: Dibenzanthracene ; trinitrobenzene complex ; trinitrobenzene complex ; π-complex ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract The crystal structure of the complex between the polycyclic aromatic hydrocarbon di-benz[a,c]anthracene and 1,3,5-trinitrobenzene is reported. The crystals are triclinic, space group P¯1 with unit cell dimensionsa=7.277(2) å,b=11.237(6) å, andc=13.902(5) å,α= 104.13(4)
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF02262849
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  • 16
    Electronic Resource
    Electronic Resource
    Metal-Template Electrophilic Substitution on Phenols: Synthesis and Crystal Structure of Bromomagnesium Phenolate and Its Reactive Complex with para-IsopropylbenzaldehydeDedicated to the memory of Professor Giuseppe Casnati on the 4th anniversary of his death (1997)
    Weinheim : Wiley-Blackwell
    Chemistry - A European Journal 3 (1997), S. 1269-1272 
    Details
    ISSN: 0947-6539
    Keywords: crystal structure ; electrophilic aromatic substitutions ; magnesium ; regioselectivity ; template synthesis ; Chemistry ; General Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The crystal structures of the bromomagnesium phenolate 5 and its complex 7 with para-isopropylbenzaldehyde are reported; for the first time it has been possible to demonstrate that the reactive complex 7, responsible for the complete ortho-regioselective control in the alkylation of phenoxymagnesium bromides with aldehydes, is not obtained by simple replacement of the ethereal ligand but by expansion of the metal coordination sphere from 4 (usual tetrahedral configuration) to 5. We infer from 1H NMR studies that the magnesium coordination of complex 7 in solution is analogous to that shown in the solid state, with a complexed ethereal molecule.
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/chem.19970030814
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  • 17
    Electronic Resource
    Electronic Resource
    Two New Closely Related MoV Hydroxymonophosphates Built Up of Cd[Mo6P4O25(OH)6]2 And Cd[Mo6P4O26(OH)5]2 ClustersDedicated to Professor H. G. von Schnering on the occasion of his retirement (1997)
    Weinheim : Wiley-Blackwell
    Chemistry - A European Journal 3 (1997), S. 1797-1800 
    Details
    ISSN: 0947-6539
    Keywords: cadmium ; crystal structure ; hydrothermal synthesis ; hydroxyphosphate ; molybdenum ; Chemistry ; General Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Two new molybdenum(v) hydroxyphosphates have been synthesized hydrothermally, Na2Cd3(Mo2O4OH)6-(PO4)2(PO3OH)6[N(CH3)4]4·10H20 (1) and Cd9(Mo2O4OH)12(PO4)6(PO3OH)10-[N(CH3)4]8·15H2O (2). Their structures have been determined from single-crystal X-ray diffraction. The water molecules and hydroxyl groups have been deduced from valence calculations. Both compounds crystallize in the triclinic space group P1, with the cell parameters for 1 a = 12.340(2), b = 12.596(1), c = 14.717(2) Å, α = 107.24(1)°, β = 89.83(1)°, γ = 114.31(1)°, V = 1972.3(4) Å3, and for 2 a = 11.942(1), b = 13.339(2), c = 26.765(3) Å, α = 85.33(1)°, β = 86.87(1)°, γ = 64.08(1)°, V = 3821.3(9) Å3. The two frameworks can be described on the basis of similar [Mo6P4X31]n- (X = O, OH) anionic clusters, but 1 is a tridimensional structure, whereas 2 exhibits a monodimensional structure.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/chem.19970031111
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  • 18
    Electronic Resource
    Electronic Resource
    Hexabromotricyclobutabenzene and Hexabromohexaradialene: Their Nickel-Mediated One-Pot Syntheses and Crystal Structure (1997)
    Weinheim : Wiley-Blackwell
    Chemistry - A European Journal 3 (1997), S. 208-210 
    Details
    ISSN: 0947-6539
    Keywords: crystal structure ; cyclobutenes ; nickel ; radialenes ; radical reactions ; Chemistry ; General Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The reaction of hexakis(dibromomethyl)benzene with [(Bu3P)2-Ni(COD)] (COD = 1,5-cyclooctadiene) in DMF at 65-70°C yielded a mixture of the title compounds. The mixture was separated by column chromatography to yield hexabromotricyclobutabenzene (3 a) and hexabromohexaradialene (4) in 24 and 16% yields, respectively. 1H and 13C NMR spectroscopy suggest that 3 is obtained as the syn-all-trans isomer 3 a, and the symmetric anti-all-trans isomer 3 b is not obtained at all. The X-ray structures of 3 a and 4 are reported. The hexaradialene 4 has a chair conformation, and deviates from planarity by 43.6°. Heat or radical impurities cause the clean transformation of 3 a to 4.
    Additional Material: 2 Ill.
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    URL: http://dx.doi.org/10.1002/chem.19970030207
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    The Unusual Properties of 5-Methyl-4,5,6,7-Tetrahydro-1H-Indazole in the Solid State (1997)
    Weinheim : Wiley-Blackwell
    Chemistry - A European Journal 3 (1997), S. 121-126 
    Details
    ISSN: 0947-6539
    Keywords: crystal structure ; NMR spectroscopy ; proton transfer ; pyrazoles ; tautomerism ; Chemistry ; General Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The crystal structure of the title compound was determined by X-ray analysis at 200 K. Three independent molecules form a trimer joined by strong and linear N-H … N hydrogen bonds. There is another centrosymmetrically related trimer in the unit cell. Both tautomers (1H and 2H) are present in each trimer. Disorder of the NH protons involved in the N-H … N hydrogen bonds has been observed. Solid-state 13C CPMAS NMR was used to establish the dynamic nature of the NH-proton disorder, the title compound being the first example of proton transfer in a tautomeric mixture of pyrazoles with an equilibrium constant other than 1.
    Additional Material: 5 Ill.
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    URL: http://dx.doi.org/10.1002/chem.19970030119
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  • 20
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    Synthesis of Pyrazinoporphyrazine Derivatives Functionalised with Tetrathiafulvalene (TTF) Units: X-Ray Crystal Structures of Two Related ttf Cyclophanes and Two Bis(1,3-Dithiole-2-Thione) IntermediatesDedicated to Professor Fabian Gerson on the occasion of his retirement (1997)
    Weinheim : Wiley-Blackwell
    Chemistry - A European Journal 3 (1997), S. 1679-1690 
    Details
    ISSN: 0947-6539
    Keywords: crystal structure ; cyclophanes ; electrochemistry ; porphyrazines ; tetrathiafulvalenes ; Chemistry ; General Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The pyrazinoporphyrazine system 13 (metal-free, zinc and copper derivatives) has been synthesised by tetramerisation of 2,3-dicyanopyrazine monomer unit 10. The structure of 13a-c has been established by 1H NMR spectroscopy, UV/Vis spectrophotometry, MALDI-TOF mass spectrometry, cyclic voltammetry and differential pulse voltammetry. The electrochemical redox behaviour of 13a-c is strongly solvent dependent. The expected two-stage oxidation of the tetrathiafulvalene (TTF) units of 13a-c was observed in a range of solvents; in addition, oxidation and reduction of the pyrazinoporphyrazine core of the metal-free derivative 13a was detected in benzonitrile. On excitation of 13 in the Q-band region no fluorescence was observed, which is presumably the consequence of intramolecular charge transfer between the TTF moieties and the excited state of the central porphyrazine. Molecular modelling studies on 13a and 13c are reported. During the course of this work, the novel TTF macrocycles 11 and 20 were synthesised; their X-ray crystal structures reveal severely bent TTF units, the conformations of which are discussed in detail. The X-ray crystal structures of the bis(1,3-dithiole) systems 15 and 18 have also been determined.
    Additional Material: 10 Ill.
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    URL: http://dx.doi.org/10.1002/chem.19970031018
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  • 21
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    The crystal and molecular structures of cellulose I and II (1997)
    Springer
    Glycoconjugate journal 14 (1997), S. 677-690 
    Details
    ISSN: 1573-4986
    Keywords: molecular dynamics ; crystal structure ; cellulose I and II
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract The paper describes molecular dynamics (MD) simulations on the crystal structures of the Iβ and II phases of cellulose. Structural proposals for each of these were made in the 1970s on the basis of X-ray diffraction data. However, due to the limited resolution of these data some controversies remained and details on hydrogen bonding could not be directly obtained. In contrast to structure factor amplitudes in X-ray diffraction, energies, as obtained from MD simulations, are very sensitive to the positions of the hydroxyl hydrogen atoms. Therefore the latter technique is very suitable for obtaining such structural details. MD simulations of the Iβ phase clearly shows preference for one of the two possible models in which the chains are packed in a parallel orientation. Only the parallel-down mode (in the definition of Gardner and Blackwell (1974) J Biopolym 13: 1975-2001) presents a stable structure. The hydrogen bonding consists of two intramolecular hydrogen bonds parallel to the glycosidic linkage for both chains, and two intralayer hydrogen bonds. The layers are packed hydrophobically. All hydroxymethyl group are positioned in the tg conformation. For the cellulose II form it was found that, in contrast to what seemed to emerge from the X-ray fibre diffraction data, both independent chains had the gt conformation. This idea already existed because of elastic moduli calculations and 13C-solid state NMR data. Recently, the structure of cellotetraose was determined. There appear to be a striking similarity between the structure obtained from the MD simulations and this cellotetraose structure in terms of packing of the two independent molecules, the hydrogen bonding network and the conformations of the hydroxymethyl group, which were also gt for both molecules. The structure forms a 3D hydrogen bonded network, and the contribution from electrostatics to the packing is more pronounced than in case of the Iβ structure. In contrast to what is expected, in view of the irreversible transition of the cellulose I to II form, the energies of the Iβ form is found to be lower than that of II by 1 kcal mol-1 per cellobiose.
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    URL: http://dx.doi.org/10.1023/A:1018509231331
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  • 22
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    Organostannate derivatives of dicyclohexylammonium hydrogen 2,6-pyridinedicarboxylate: solution/solid-state 13C,119Sn NMR and in vitro antitumour activity of bis(dicyclohexylammonium) bis(2,6-pyridinedicarboxylato)dibutylstannate, and the crystal structure of its monohydrate (1997)
    New York, NY [u.a.] : Wiley-Blackwell
    Applied Organometallic Chemistry 11 (1997), S. 39-45 
    Details
    ISSN: 0268-2605
    Keywords: organotin ; solid-state NMR ; crystal structure ; antitumor activity ; Chemistry ; Industrial Chemistry and Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Bis(dicyclohexylammonium) bis(2,6-pyridinedicarboxylato)dibutylstannate is assigned seven-fold coordination at tin on the basis of its 119Sn CP/MAS NMR chemical shift (δ=-424.9 ppm). The assignment has been corroborated by a crystal structure determination of its monohydrate, whose tin atom has the trans-C2SnNO4 pentagonal bipyramidal [Sn-C=2.040(9), 2.067(8) Å; C-Sn-C =168.9(5)°] geometry. One 2,6-pyridine- dicarboxylato group chelates to the tin atom (Sn-O=2.234(4), 2.260(4); Sn-N =2.279(5) Å) whereas the other binds through only one carboxyl -CO2 end (Sn-O=2.416(5), 2.441(5) Å). Hydrogen bonds link the cation and the stannate into a linear chain parallel to the b-axis. The lattice water molecule is hydrogen-bonded to the free carboxyl end. The anhydrous compound showed higher in vitro antitumor activity than those of carboplatin and cisplatin when screened against breast (MCF-7, EVSAT), colonic (WiDr), ovarian (IGROV) and renal (A498) carcinoma, and melanoma (M19 MEL) cell lines. © 1997 by John Wiley & Sons, Ltd.
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  • 23
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    Mono-organotin(IV) and tin(IV) derivatives of 2-mercaptopyridine and 2-mercaptopyrimidine: X-ray structures of methyl-tris(2-pyridinethiolato)tin(IV) and phenyl-tris(2-pyridinethiolato)tin(IV)·1.5CHCl3 (1997)
    New York, NY [u.a.] : Wiley-Blackwell
    Applied Organometallic Chemistry 11 (1997), S. 869-888 
    Details
    ISSN: 0268-2605
    Keywords: organotin ; pyridine-2-thiolate complexes ; pyrimidine-2-thiolate complexes ; crystal structure ; Mössbauer ; IR ; NMR ; Chemistry ; Industrial Chemistry and Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Mono-organotin(IV) and tin(IV) derivatives of 2-mercaptopyridine (HSPy) and 2-mercaptopyrimidine (HSPym), RSnL3 (R=Me, n-Bu, Ph; L=SPy, SPym; R=Bz=benzyl, o-ClBz, o-ClC6H4, p-ClC6H4, o-tolyl, p-tolyl; L=SPy), RSnClL2 (R=Me, n-Bu, Ph; L=SPy, SPym), RSnCl2L (R=Me, n-Bu; L=SPy, SPym) and SnCl4-nLn (L=SPy, SPym; n=2, 4) were obtained from RSnCl3 or SnCl4 and NaL or by neutralization (R=Ph, p-tolyl; L=SPy, SPym). RSnClL2 and RSnCl2L were better prepared by comproportionation of RSnCl3 and RSnL3.MeSn(SPy)3 and PhSn(SPy)3·1.5CHCl3 crystals, as determined by single-crystal X-ray diffraction, are monoclinic. In the discrete monomeric RSn(SPy)3 units, three bidentate SPy ligands together with R form a distorted pentagonal bipyramid around tin. One S and the C(R) atom are in the axial positions. Two S atoms and three N atoms form the pentagonal plane.From 119Sn Mössbauer and IR data, analogous structures are inferred for the other solid RSnL3 compounds, except for R=Bz, o-ClBz, o-ClC6H4 and o-tolyl, in which tin would be hexacoordinated. In the compounds RSnClL2 and RSnCl2L, tin is at the center of an octahedron or a trigonal bipyramid, respectively. For Sn(SPym)4 and SnCl2(SPym)2, the same type of octahedral structure as was previously found for Sn(SPy)4·HSPy and SnCl2(SPy)2 is proposed.According to IR and 1H, 13C and 119Sn NMR data, the solid-state molecular structures are retained in chloroform and dimethyl sulfoxide solution. © 1997 John Wiley & Sons, Ltd.
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    Synthesis, Characterization and Biological Activity of Organotin Derivatives of 2-Thionaphthalene, Including the Crystal Structures of (Naphthalenethiolato-S)triphenyltin(IV) and Bis(naphthalenethiolato-S)dimethyltin(IV) (1997)
    New York, NY [u.a.] : Wiley-Blackwell
    Applied Organometallic Chemistry 11 (1997), S. 47-55 
    Details
    ISSN: 0268-2605
    Keywords: organotin ; 2-thionaphthalene ; synthesis ; crystal structure ; biological activity ; Chemistry ; Industrial Chemistry and Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A series of di- and tri-organotin complexes of 2-thionaphthalene of general formula RR′R″SnL (R=R′=R″=C6H5, CH3, n-C4H9, C6H11, C6H5CH2; R=R′=C6H5CH2, R″=Cl; R=R′=Me, R″=C10H7S and L=2-thio-naphthalene, C10H7S) have been prepared by the reaction of di-or tri-organotin chloride(s) with 2-thionaphthalene. All compounds have been characterized by elemental analysis, IR, MS, NMR (1H, 13C, 119Sn) and 119Sn Mössbauer spectroscopies. X-ray crystal structures of the representative compounds (C6H5)3SnL and (CH3)2SnL2 confirm a tetrahydral geometry about tin. The biological activities of these compounds against various bacteria and fungi have been investigated. © 1997 by John Wiley & Sons, Ltd.
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    Crystal structure of the bovine α-chymotrypsin:kunitz inhibitor complex. An example of multiple protein:protein recognition sitesThis paper is dedicated to Professor A. Ballio on the occasion of his 75th birthday. (1997)
    Chicester [u.a.] : Wiley-Blackwell
    Journal of Molecular Recognition 10 (1997), S. 26-35 
    Details
    ISSN: 0952-3499
    Keywords: bovine α-chymotrypsin ; bovine basic pancreatic trypsin inhibitor (Kunitz-type inhibitor) ; serine proteinase:Kunitz inhibitor complex ; crystal structure ; Chemistry ; Biochemistry and Biotechnology
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Medicine
    Notes: The crystal structure of bovine α-chymotrypsin (α-CHT) in complex with the bovine basic pancreatic trypsin inhibitor (BPTI) has been solved and refined at 2.8 Å resolution (R-factor=0.18). The proteinase:inhibitor complex forms a compact dimer (two α-CHT and two BPTI molecules), which may be stabilized by surface-bound sulphate ions, in the crystalline state. Each BPTI molecule, at opposite ends, is contacting both proteinase molecules in the dimer, through the reactive site loop and through residues next to the inhibitor's C-terminal region. Specific recognition between α-CHT and BPTI occurs at the (re)active site interface according to structural rules inferred from the analysis of homologous serine proteinase:inhibitor complexes. Lys15, the P1 residue of BPTI, however, does not occupy the α-CHT S1 specificity pocket, being hydrogen bonded to backbone atoms of the enzyme surface residues Gly216 and Ser217. © 1997 John Wiley & Sons, Ltd.
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    Lewis-Säure-Base-Reaktionen von Goldtrihalogeniden mit Bismuttrihalogeniden - Synthese und Kristallstrukturen von AuBiX6 (X = Cl, Br)Professor Rudolf Hoppe zum 75. Geburtstag gewidmet (1997)
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 623 (1997), S. 1810-1814 
    Details
    ISSN: 0044-2313
    Keywords: Gold trichloride ; gold tribromide ; bismuth trichloride ; bismuth tribromide ; solvothermal synthesis ; crystal structure ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Lewis-Acid-Base-Reactions of Gold Trihalides with Bismuth Trihalides - Synthesis and Structures of AuBiX6 (X = CI, Br)Gold trihalides AuX3 (X = Cl, Br) react with bismuth trihalides in sealed glass ampoules to the 1 : 1 adducts AuBiX6 (X = Cl, Br). AuBiCl6 is obtained by a chemical transport reaction at 220°C, whereas AuBiBr6 was synthesized by solvothermal reaction in SiBr4 at 150°C. Both compounds crystallize triclinic, space group P1, Z = 4. AuBiCl6; a = 698.3(4) pm; b = 1009.3(5) pm; c = 1381(1) pm; α = 104.98(5)°; β = 94.73(5)°; γ = 110.06(3)°; V = 867(1) · 106 pm3. AuBiBr6: a = 735.7(4) pm; b = 1055.7(5) pm; c = 1445(1) pm; α =104.88(5)°; β = 94.25(5)°; γ = 110.18(4)°; V =1001(1) ·106pm3. The structures are build formally of square-planar [AuX4]- and chains of edge-connected ([BiX4/2]+)n units. Since each Bi ion is surrounded by eight halogenide ions in a square-antiprismatic form, the structure can alternatively be described as consisting of chains of edge sharing ([BiX4X4/2]3-)n antiprisms connected by Au3+ ions.
    Notes: Goldtrihalogenide AuX3 (X = CI, Br) reagieren mit den entsprechenden Bismuttrihalogeniden BiX3 (X = Cl, Br) in geschlossenen Ampullen zu den 1 : 1-Addukten AuBiX6. AuBiCl6 entsteht bei 220°C unter den Bedingungen des chemischen Transportes, während AuBiBr6 wegen der geringen thermischen Stabilität von AuBr3 unter solvothermalen Bedingungen in SiBr4 als Lösungsmittel bei 150°C dargestellt wurde. Beide Verbindungen sind isotyp und kristallisieren triklin in der Raumgruppe P1, Z = 4, mit den Gitterkonstanten a = 698,3(4) pm; b = 1009,3(5) pm; c = 1381(1) pm; α = 104,98(5)°; β = 94,73(5)°; γ = 110,06(3)° für AuBiCl6 und a = 735,7(4) pm; b = 1055,7(5) pm; c = 1445(1) pm; α = 104,88(5)°; β = 94,25(5)°; γ = 110,18(4)° für AuBiBr6. Die Strukturen sind aus quadratisch-planaren [AuX4]--Ionen und Ketten aus kantenverknüpften ([BiX4/2]+)n-Einheiten aufgebaut. Da die Bi-Ionen von acht Halogenid-Ionen in Form eines quadratischen Antiprismas umgeben sind, kann die Struktur alternativ so beschrieben werden, daß sie aus Ketten kantenverknüpfter ([BiX4X4/2]3- )n-Antiprismen besteht, die über Au3+ -Ionen verbunden sind.
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    URL: http://dx.doi.org/10.1002/zaac.19976231125
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    Derivate des Imidazols. XXIV [1].[Li12O2Cl2(ImN)8(THF)4] · 8 THF: Ein Peroxo-Komplex des Lithiums mit neuartiger KäfigstrukturProfessor Welter Siebert zum 60. Geburtstag gewidmet (1997)
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 623 (1997), S. 1121-1124 
    Details
    ISSN: 0044-2313
    Keywords: Lithium ; imidazole derivatives ; peroxo complexes ; crystal structure ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Imidazole Derivatives. XXIV. [Li12O2Cl2(ImN)8(THF)4] · 8 THF: a Peroxo Lithium Fragment in a Novel Cage Structure1,3-dimethyl-2-iminoimidazoline (8, ImNH) reacts with methyl lithium to give [ImNLi]n (9). In tetrahydrofuran, crystals of C56H96Cl2Li12N24O6 · 8 C4H8O (10) are obtained. The structure of 10 consists of a Li12Cl2N8O2 core in which a peroxo unit is incorporated into a stack of ladder fragments. Over all, four tetrahydrofuran and eight imidazoline ligands are attached at the lithium and nitrogen atoms.
    Notes: 1,3-Dimethyl-2-iminoimidazolin (8, ImNH) reagiert mit Methyllithium in Diethylether zu [ImNLi]n (9). In Tetrahydrofuran werden Kristalle von [Li12O2Cl2(ImN)8(THF)4] · 8 THF (10) erhalten. In 10 liegt ein Li12Cl2N8O2-Käfig in Form gestapelter Leiterfragmente mit O22 als zentraler Einheit vor. Hieran sind über die Lithium- und Stickstoffatome insgesamt vier Tetrahydrofuran- und acht Imidazolin-Liganden koordiniert.
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    URL: http://dx.doi.org/10.1002/zaac.19976230719
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    The Structures and Characterization of Two New Oxides of the Sr4PtO6 Type: NaCa3IrO6 and NaCa3RuO6 (1997)
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 623 (1997), S. 1131-1134 
    Details
    ISSN: 0044-2313
    Keywords: Iridium ; ruthenium ; sodium ; calcium ; oxygen ; crystal structure ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Strukturen und Charakterisierung von zwei neuen Oxiden vom Sr4PtO6-Typ: NaCa3IrO6 und NaCa3RuO6NaCa3IrO6 (I) und NaCa3RuO6 (II) kristallisieren mit trigonaler (rhomboedrischer) Symmetrie in der Raumgruppe R3c, Z = 6, I: a = 9,272(3) Å, c = 11,214(1) Å, II: a = 9,244(3) Å, c = 11,201(1) Å. I und II sind isotyp zu Verbindungen vom Sr4PtO6-Typ. Die Strukturen wurden mittels Röntgen-Einkristallstrukturanalyse gelöst mit einem R-Wert von 0,032 und Rw = 0,039 für I bzw. R = 0,024 und Rw = 0,031 für II. Die Struktur besteht aus unendlichen Ketten von flächenverknüpften MO6-Oktaedern mit M=Ir bzw. Ru und trigonalen Prismen von NaO6. Die Ketten sind getrennt durch Calcium-Kationen.
    Notes: NaCa3IrO6 (I) and NaCa3RuO6 (II) crystallize with trigonal (rhombohedral) symmetry in the space group R3c, Z = 6, for I a = 9.272(3) Å, c = 11.214(1) Å; for II a = 9.244(3) Å, c = 11.201(1) Å. NaCa3IrO6 (I) and NaCa3RuO6 (II) are isotypic to compounds of the Sr4PtO6 structure type. The structures have been solved by means of single crystal X-ray diffraction data analysis with the reliability factors for I of R = 0.032 and Rw = 0.039; and the the reliability factors for II of R = 0.024 and Rw = 0.031. The structure consists of infinite chains of alternating face-sharing MO6 octahedra, where M=Ir or Ru, and NaO6 trigonal prisms. The chains are separated by the calcium cations.
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    URL: http://dx.doi.org/10.1002/zaac.19976230721
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    The Na/V/P/N(C2H5)3/H2O system at 473 K and the new open framework structure of the vanadium phosphate phase Nav[((V4-w4+V1+w5+) O9)(PO4)2] · (PO4)x · (OH)y · z H2O (with v = 2.8 to 4.0, w = -0.1 to 1.1, x = 0 to 0.2, y = 0 to 2.1, and z = 7 to 10) (1997)
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 623 (1997), S. 45-54 
    Details
    ISSN: 0044-2313
    Keywords: Vanadium phosphate ; mixed valence compound V4+/V5+ ; microporosity ; disorder ; open framework ; crystal structure ; single crystal X-ray diffraction ; anti-Keggin group ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Das System Na/V/P/N(C2H5)3/H2O bei 473 K und die neue offene Struktur der Vanadiumphosphat-Phase Nav[((V4-w4+V1+w5+) O9)(PO4)2] · (PO4)x · (OH)y · zH2O (v = 2,8 bis 4,0; w = -0,1 bis 1,1; x = 0 bis 0,2; y = 0 bis 2,1; z = 7 bis 10)Eine Untersuchung des Na/V/P/N(C2H5)3/H2O-Systems bei 473 K unter hydrothermalen Bedingungen ergibt verschiedene Phasen im pH-Bereich von 2,65 bis 12. Bei niedrigen pH-Werten wurde die NaV4+OPO4-Phase erhalten. Im schwach sauren, neutralen und schwach basischen Bereich wurde die Nav[((V4-w4+V1+w5+) O9)(PO4)2] · (PO4)X · (OH)y · zH2O-Phase (oder kurz FVP-1) (mit v = 2.8 bis 4.0, w = -0.1 bis 1.1, x = 0 bis 0.2, y = 0 bis 2.1 and z = 7 bis 10) gefunden. Ihre Kristallstruktur wurde in der Raumgruppe Im3m mit a = 16.025 Å gelöst. Die Kristallstruktur enthält V4+V5+O9(PO4)2-Gruppen, in welchen die Vanadiumatome in quadratisch pyramidaler Koordination mit den Sauerstoffatomen vorliegen. Die Gruppen besitzen die Gestalt einer Pickelhaube, wobei die Spitze die Vanadylgruppe des zentralen V5+ Polyeders ist. Sie sind statistisch um eine Spiegelebene angeordnet und bilden eine V10/2O18/2(PO4)2-Gruppe. Diese sind über die Phosphattetraeder miteinander verknüpft und bilden dabei ein offenes poröses Gerüst, das die Topologie des NbO-Netzes hat. Das Gerüst hat einen freien mittleren Kanaldurchmesser von 4.1 Å und eine Dichte von 10.2 Vanadium- und Phosphatpolyedern pro 1000 Å3. Dieses und zwei verwandte kürzlich gefundene Strukturen sind mikroporöse Gerüste mit der bisher größten gefundenen Porösität. Kein Aluminosilicat oder Aluminophosphat mit einem ähnlich großen Porenanteil ist bisher bekannt geworden. Die FVP-1 Phase kollabiert nicht beim Heizen in Luft bis 523 K und im Vakuum bis 623 K. Sie dehydratisiert und rehydratisiert reversibel. Redoxtitrationen von 19 Proben zeigten, daß das V4+/V5+ Verhältnis zwischen 4.1(2)/0.9(2) un d2.9(2)/2.1(2) variiert. Synthesen mit V25+O5 als Vanadiumquelle ergaben kleinere V4+/V5+ Verhältnisse als solche mit V4+OSO4. Die Tatsache, daß FVP-1 Unordnungserscheinungen zeigt, macht es möglicherweise für katalytische Anwendungen interessant.
    Notes: An examination of the Na/V/P/N(C2H5)3/H2O system at 473 K under hydrothermal conditions yields several different phases in the pH range of 2.65 to 12. At low pH values a NaV4+OPO4 phase was obtained. In the weakly acid, neutral or low basic pH ranges the Nav[((V4-w4+V1+w5+) O9)(PO4)2] · (PO4)x · (OH)y · zH2O (or FVP-1 for short) phase was found (with v = 2.8 to 4.0, w = -0.1 to 1.1, x = 0 to 0.2, y = 0 to 2.1 and z = 7 to 10). Its crystal structure was solved in space group Im3m with a = 16.025 Å. It contains V44+V5+O9(PO4)2 groups in which the vanadium atoms have a square pyramidal coordination of oxygen atoms in the shape of a spiked helmet, where the spike is the vanadyl group of the central V5+ coordination polyhedron. These groups are statistically arranged around a mirror plane yielding an V10/2O18/2(PO4)2 grouping and connect to form an open porous framework by bridging via the phosphate groups following the topology of the NbO type net. The framework has a mean free channel diameter of about 4.1 Å and a density of 10.2 vanadium and phosphorus polyhedra per 1000 Å3. This makes it, together with two other recently found related frameworks, the most open microporous framework described so far. No aluminosilicates or aluminophosphates of similar openness are known. In air the FVP-1 phase does not collapse when heated to 523 K, in vacuum it remains stable to 623 K. It dehydrates and rehydrates reversibly. Redox titrations of 19 samples show that the V4+/V5+ ratios vary from 4.1(2)/0.9(2) to 2.9(2)/2.1(2). Syntheses using V2O5 as a source of vanadium yield samples with lower V4+/V5+ ratios than those based on VOSO4. The fact that FVP-1 displays disorder makes the compound possibly interesting for potential catalytic applications.
    Additional Material: 5 Ill.
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    Na4AuTl, die erste ternäre Verbindung im System Natrium/Gold/Thallium (1997)
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 623 (1997), S. 1621-1624 
    Details
    ISSN: 0044-2313
    Keywords: Sodium auride thallide ; gold chains ; thallium dumb-bells, synthesis ; crystal structure ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Na4AuTl, the First Ternary Compound in the System Sodium/Gold/ThalliumSilver coloured, brittle single crystals of Na4AuTl were obtained by the reaction of NaN3, gold sponge and TlN3 at 773 K. The structure was determined from X-ray single-crystal diffractometry data: \documentclass{article}\pagestyle{empty}\begin{document}$$ {\rm space}\,{\rm group}\,{\rm Fmmm,}\,{\rm Z = 8,}\,{\rm a = 5}{\rm .453(1)}\mathop {\rm A}\limits^ \circ,\,{\rm b = 10}{\rm .006(2)}\,\,\mathop {\rm A}\limits^ \circ,\,{\rm c = 23}{\rm .387(5)}\,\mathop {\rm A}\limits^ \circ $$\end{document} Na4AuTl crystallizes in a new structure type with separated gold and thallium partial structures. These consist of linear ∞1[Au2/2] chains and [Tl2] dumb-bells. Structural relationships between Na2Au and the Na Au partial structure of Na4AuTl are discussed.
    Notes: Silberfarbene, spröde Einkristalle eines bislang unbekannten Na4AuTl wurden durch Umsetzung von NaN3, Goldschwamm und TlN3 bei 773 K erhalten. Die Struktur wurde aus Röntgen-Einkristall-Diffraktometerdaten bestimmt: \documentclass{article}\pagestyle{empty}\begin{document}$$ {\rm Raumgruppe}\,{\rm Fmmm,}\,{\rm Z = 8,}\,{\rm a = 5,453(1)}\mathop {\rm A}\limits^ \circ,\,{\rm b = 10,006(2)}\,\,\mathop {\rm A}\limits^ \circ,\,{\rm c = 23,387(5)}\,\mathop {\rm A}\limits^ \circ $$\end{document} Na4AuTl kristallisiert in einem neuen Strukturtyp mit voneinander separierten Gold- und Thallium-Teilstrukturen, die aus linearen ∞1[Au2/2]-Ketten und [Tl2]-Hanteln aufgebaut sind. Strukturbeziehungen zwischen Na2Au und der Na—Au-Teilstruktur von Na4AuTl werden diskutiert.
    Additional Material: 5 Ill.
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    URL: http://dx.doi.org/10.1002/zaac.19976231023
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    Untersuchungen an Natriumtrifluormethylsulfonat - Kristallstruktur und Phasenumwandlung des Monohydrats und Natriumionenleitfähigkeit des wasserfreien Salzes (1997)
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 623 (1997), S. 1625-1632 
    Details
    ISSN: 0044-2313
    Keywords: Sodium trifluormethanesulfonate ; monohydrate ; crystal structure ; phase transition ; sodium ionic conduction ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Studies on Sodium Trifluormethanesulfonate - Crystal Structure and Phase Transition of Sodium Trifluormethanesulfonate Monohydrate and Sodium Ion Conductivity of Anhydrous Sodium TrifluormethanesulfonateAccording to the results of temperature dependent powder diffractometry (Guinier-Simon-technique) sodium trifluormethanesulfonate monohydrate is dimorphous. The phase transition occurs at -35°C. The room-temperature modification crystallizes monoclinic in space group P21/c with the lattice parameters a = 941.6(5) pm, b = 654.3(2) pm, c = 1062.4(5) pm and β = 107.73(2)°. The crystal structure consists of double layers of trifluormethanesulfonate anions, the lipophilic CF3-groups pointing at each other. Sodium is coordinated by four oxygen atoms from four different anions and by two molecules of crystal water. The resulting polyhedron may be addressed as a distorted octahedron. The low-temperature modification crystallizes orthorhombic in space group Pnma with the lattice parameters a = 645.31(9) pm, b = 538.03(9) pm, c = 1745.3(3) pm. The loss of crystal water occurs at 136°C. Anhydrous sodium trifluormethanesulfonate shows a phase transition at 252°C. The high-temperature modification is a good sodium ionic conductor (σ = 4.1 · 10-1 Ω-1 cm-1 at 250°C).
    Notes: Nach Kühl-Guinier-Simon-Untersuchungen ist Natriumtrifluormethylsulfonatmonohydrat dimorph. Die Phasenumwandlung erfolgt bei -35°C. Die Raumtemperaturmodifikation kristallisiert monoklin in der Raumgruppe P21/c mit den Gitterkonstanten a = 941,6(5) pm, b = 654,3(2) pm, c = 1062,4(5) pm und β = 107,73(2)°. In der Kristallstruktur liegen Doppelschichten aus Trifluormethylsulfonatanionen vor, in denen die unpolaren CF3-Gruppen einander zugewandt sind. Natrium wird von jeweils einem Sauerstoffatom aus vier verschiedenen Anionen sowie von zwei Kristallwassermolekülen koordiniert und erreicht eine verzerrt oktaedrische Koordination. Die Tieftemperaturmodifikation kristallisiert orthorhombisch in der Raumgruppe Pnma mit den Gitterkonstanten a = 645,31(9) pm, b = 538,03(9) pm, c = 1745,3(3) pm. Die Abgabe von einem Mol Kristallwasser erfolgt bei 136°C. Wasserfreies Natriumtrifluormethylsulfonat zeigt eine Phasenumwandlung in eine Hochtemperaturmodifikation bei 252°C, die eine gute Natriumionenleitfähigkeit zeigt (σ = 4,1 · 10-1 Ω-1 cm-1 bei 250°C).
    Additional Material: 6 Ill.
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    URL: http://dx.doi.org/10.1002/zaac.19976231024
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  • 32
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    Die 3-(N,N-Dimethylamino)prop-1-enyl-Gruppe als Chelatligand in Organoindium-Verbindungen (1997)
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 623 (1997), S. 1679-1683 
    Details
    ISSN: 0044-2313
    Keywords: Organoindium compounds ; chelate complexes ; crystal structure ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: The 3-(N,N-Dimethylamino)prop-1-enyl Group as a Chelate Ligand in Indium OrganylsInBr3 reacts with Me2NCH2CH=CHMgCl (molar ratio 1 : 2) to form (Me2NCH2CH=CH)2InBr (1) as the first indium alkenyl compound with amino-functionalized alkenyl groups. The X-ray structure determination shows the formation of a chelate complex. 1 crystallizes in the orthorhombic space group Fddd with the unit cell parameters a = 14.904(2) Å, b = 17.140(1) Å and c = 21.035(2) Å. By reaction of Me2InBr with Me2NCH2CH=CHMgCl (molar ratio 1 : 1) (Me2NCH2CH=CH)InMe2 (2) is formed as a colorless, at room temperature liquid, monomeric compound. The n.m.r. and mass spectra are discussed.
    Notes: InBr3 reagiert mit Me2NCH2CH=CHMgCl (Molverhältnis 1 : 2) in Diethylether als Lösungsmittel zu (Me2NCH2CH=CH)2InBr (1), der ersten Indium-Alkenylverbindung mit aminofunktionalisierten Alkenylresten. Die Röntgenkristallstrukturanalyse zeigt das Vorliegen eines Chelatkomplexes an. 1 kristallisiert orthorhombisch in der Raumgruppe Fddd mit Z = 16, a = 14,904(2) Å, b = 17,1405(14) Å und c = 21,035(2) Å. Aus Me2InBr und Me2NCH2CH=CHMgCl (Molverhältnis 1 : 1) wurde (Me2NCH2CH=CH)InMe2 (2) als farblose, bei Raumtemperatur flüssige, monomere Verbindung erhalten. Die 1H- und 13C-NMR-Spektren sowie Massenspektren werden mitgeteilt.
    Additional Material: 3 Ill.
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    URL: http://dx.doi.org/10.1002/zaac.19976231033
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    Contributions on thermal behaviour and crystal chemistry of anhydrous phosphates. XIX. Tri-chromium(II)-bis-phosphate Cr3(PO4)2 (≙ Cr6(PO4)4) - A transition metal(II)-orthophosphate with new structure type (1997)
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 623 (1997), S. 1672-1678 
    Details
    ISSN: 0044-2313
    Keywords: Chromium(II)-orthophosphate ; crystal growth ; crystal structure ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Beiträge zum thermischen Verhalten und zur Kristallchemie von wasserfreien Phosphaten. XIX. Tri-chrom(II)-bis-phosphat Cr3(PO4)2 (≙ Cr6(PO4)4) - Ein Übergangsmetall(II)- Orthophosphat mit neuem StrukturtypIntensiv blau-violette Kristalle des bislang unbekannten Tri-chrom(II)-bis-phosphats, Cr3(PO4)2, entstehen bei der Reduktion von CrPO4 mit Chrom oberhalb von 1050°C (evakuierte Quarzglasampullen, wenige mg NH4I oder I2 als Mineralisator). Die Kristallstruktur von Cr3(PO4)2 enthält sechs kristallographisch unabhängige Cr2+ in der Elementarzelle (P212121, Z = 8, a = 8,4849(10) Å, b = 10,3317(10) Å, c = 14,206(3) Å). Davon sind fünf in der ersten Koordinationssphäre von vier Sauerstoffatomen leicht verzerrt quadratisch-planar umgeben (1,96 Å ≤ d(Cr—O) ≤ 2.15 Å). Deren Koordination wird vervollständigt durch zwei bzw. drei weiter entfernte Sauerstoffatome (2,32 Å ≤ d(Cr—O) ≤ 3,21 Å). Das sechste Cr2+-Ion ist stark verzerrt oktaedrisch koordiniert (d(Cr—O): 1,97, 2,04, 2,15, 2,28, 2,29, 2,53 Å).Die vier kristallographisch unterschiedlichen [PO4]-Gruppen zeigen nur geringe Abweichungen von der Geometric eines idealen Tetraeders (1,51 Å ≤ d(P—O) ≤ 1,57 Å; 104,3° ≤ ∠(O—P—O) ≤ 114,4°).Für die Cr2+ wurde mit μexp = 4,28(2) μB (θP = -54,8(5) K) ein ungewöhnlich niedriges mittleres magnetische Moment gefunden.
    Notes: Deep blue-violet single crystals of hitherto unknown chromous orthophosphate have been obtained reducing CrPO4 by elemental Cr at temperatures above 1050°C in evacuated silica ampoules (NH4I or I2 as mineraliser). The complex structure of Cr3(PO4)2 (P212121, Z = 8, a = 8.4849(10) Å, b = 10.3317(10) Å, c = 14.206(2) Å) contains six crystallographically independent Cr2+ per unit cell. Five of them are coordinated by four oxygen atoms which form a distorted (roof shaped) square plane as first coordination sphere at interatomic distances 1.96 Å ≤ d(Cr—O) ≤ 2.15 Å. Their coordination is completed by additional oxygen atoms (2 or 3) at distances 2.32 Å ≤ d(Cr—O) ≤ 3.21 Å. The sixth Cr2+ shows six-fold octahedral coordination with strong radial distortion (d(Cr—O): 1.97, 2.04, 2.15, 2.28, 2.29, 2.53 Å).The four different [PO4] groups exhibit only minor deviations from ideal tetrahedral geometry (1.51 Å ≤ d(P—O) ≤ 1.57 Å, 104.3° ≤ ∠(O—P—O) ≤ 114.4°).An unusually low magnetic moment μexp = 4.28(2) μB (θP = -54.8(5) K) has been observed for Cr2+.
    Additional Material: 5 Ill.
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    URL: http://dx.doi.org/10.1002/zaac.19976231032
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    Cs2CaH4, ein neues Hydrid: Das Volumeninkrement des Wasserstoffs als Kriterium zur Überprüfung von Struktur und Zusammensetzung (1997)
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 623 (1997), S. 119-121 
    Details
    ISSN: 0044-2313
    Keywords: Metal hydrides ; crystal structure ; neutron diffraction ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Cs2CaH4, a New Hydride: The Atomic Volume of Hydrogen as a Criterion to Check Crystal Structure and CompositionAccording to the investigations of Park, Pezat, and Darriet CsCaH3 crystallizes in the GdFeO3 structure type. As the resulting atomic volume of hydrogen is too small for a ionic hydride a re-examination of the crystal structure has been carried out. The results of our investigations show that the compound under discussion is actually Cs2CaH4. It crystallizes in the K2NiF4 structure type with the expected atomic volume for hydrogen. The complete crystal structure has successfully been determined by a neutron diffraction experiment on the deuteride Cs2CaD4.
    Notes: Nach Untersuchungen von Park, Pezat und Darriet soil CsCaH3 im GdFeO3-Typ kristallisieren. Anlaß für eine Neuuntersuchung war das für salzartige Hydride wesentlich zu geringe Volumeninkrement des Wasserstoffs in der angegebenen Struktur von CsCaH3. Die Ergebnisse unserer Untersuchungen zeigen, daß es sich um die Verbindung Cs2CaH4 handelt, die im K2NiF4-Typ mit dem für Wasserstoff zu erwartenden Volumeninkrement kristallisiert. Die vollständige Strukturbestimmung gelang über ein Neutronenbeugungsexperiment, bei dem das Deuterid Cs2CaD4 eingesetzt wurde.
    Additional Material: 2 Ill.
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    URL: http://dx.doi.org/10.1002/zaac.19976230119
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    Synthese, Kristallstruktur und Eigenschaften der Nitridosilicate SrYbSi4N7 und BaYbSi4N7 (1997)
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 623 (1997), S. 212-217 
    Details
    ISSN: 0044-2313
    Keywords: nitridosilicates ; network structures ; strontium ; barium ; ytterbium ; high-temperature synthesis ; crystal structure ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Synthesis, Crystal Structure, and Properties of the Nitridosilicates SrYbSi4N7 and BaYbSi4N7Pure SrYbSi4N7 and BaYbSi4N7 were obtained by reaction of silicon diimide with metallic strontium/barium and ytterbium. The reactions have been carried out under nitrogen atmosphere in a high-frequency furnace at 1650°C. SrYbSi4N7 (P63mc, a = 598.80(3), c = 974.99(9) pm, Z = 2, R1 = 0.023, wR2 = 0.038) and BaYbSi4N7 (P63mc, a = 603.07(2), c = 981.98(4) pm, Z = 2, R1 = 0.021, wR2 = 0.048) are isotypic and contain M2+ ions (M = Sr, Ba), Yb3+ ions, as well as a three-dimensional covalent network structure of corner-sharing SiN4 tetrahedra. SrYbSi4N7 and BaYbSi4N7 are the first compounds with one central nitrogen connecting four silicon. These N[4] bridges significantly extend the spectrum of possible linkages in Si—N network structures.
    Notes: SrYbSi4N7 und BaYbSi4N7 wurden phasenrein durch Umsetzung von Siliciumdiimid mit den jeweiligen Metallen Strontium bzw. Barium und Ytterbium unter Stickstoffatmosphäre in einem Hochfrequenzofen bei 1650°C synthetisiert. SrYbSi4N7 (P63mc, a = 598,80(3), c = 974,99(9) pm, Z = 2, R1 = 0,023, wR2 = 0,038) und BaYbSi4N7 (P63mc, a = 603,07(2), c = 981,98(4) pm, Z = 2, R1 = 0,021, wR2 = 0,048) kristallisieren isotyp und sind aus M2+-Ionen (M = Sr bzw. Ba), Yb3+-Ionen sowie einer kovalenten dreidimensionalen Raumnetzstruktur eckenverknüpfter SiN4-Tetraeder aufgebaut. SrYbSi4N7 und BaYbSi4N7 sind die ersten Verbindungen, in denen ein zentrales Stickstoffatom an vier Siliciumatome kovalent gebunden ist. Diese N[4]-Brücken erweitern die Verknüpfungsmöglichkeiten in Si—N-Netzwerken erheblich.
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    URL: http://dx.doi.org/10.1002/zaac.19976230135
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    Strukturchemischer Einfluß auf die Ionenleitfähigkeit in Na+/La3+-β″-Al2O3-Kristallen (1997)
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 623 (1997), S. 231-238 
    Details
    ISSN: 0044-2313
    Keywords: Na-β″-alumina ; lanthanide ion exchange ; crystal structure ; ionic conductivity ; impedance spectroscopy ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: The Influence of Structural Chemistry on the Ionic Conductivity in Na+/La3+-β″-Alumina CrystalsThe influence of the crystal composition on the structure of Na+/La3+-β″-alumina crystals has been investigated by single crystal X-ray diffraction methods at room temperature. For an example, the structure determination of a nearly fully exchanged La3+-β″-alumina crystal with the composition Na0,03La0,47Mg0,60Al10,47O17 (degree of exchange ζ = 98%, related to Na+ content) is given (R3m, Z = 3, a = 562,7(3) pm, c = 3353,8(17) pm). The structural chemical results are connected with the ionic conductivity data of Na+/La3+-β″-Al2O3 crystals which have been determined by impedance spectroscopy. With growing La3+ content the conductivity σ decreases with increasing activation energy Ea. For crystals with a defined degree of exchange Ea decreases for lowered cation concentrations within the conduction planes.
    Notes: Anhand röntgenographischer Einkristalluntersuchungen bei Raumtemperatur wird der Einfluß der Kristallzusammensetzung auf die Struktur von Na+/La3+-β″-Al2O3-Kristallen ermittelt. Als explizites Beispiel ist die Strukturbestimmung eines nahezu vollausgetauschten La3+-β″-Al2O3-Kristalls der Zusammensetzung Na0,03La0,47Mg0,60Al10,47O17 (Austauschgrad ζ = 98%, bezogen auf den Na+-Gehalt) angegeben (R3m, Z = 3, a = 562,7(3) pm, c = 3353,8(17) pm). Die strukturchemischen Resultate werden mit impedanzspektroskopisch ermittelten Leitfähigkeitsdaten von Na+/La3+-β″-Al2O3-Kristallen in Zusammenhang gesetzt. Dabei fällt mit zunehmendem La3+-Einbau die Ionenleitfähigkeit σ, bei gleichzeitigem Anstieg der Aktivierungsenergie Ea, ab. In Na+/La3+-β″-Al2O3-Kristallen mit definiertem Austauschgrad ist ein Abfall von Ea bei kleineren Konzentrationen der Leitungsschichtionen zu beobachten.
    Additional Material: 8 Ill.
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    URL: http://dx.doi.org/10.1002/zaac.19976230138
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    Bi12Ni4I3: Ein Subiodid der intermetallischen Phase Bi3Ni (1997)
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 623 (1997), S. 243-249 
    Details
    ISSN: 0044-2313
    Keywords: Bismuth nickel subiodide ; intermetallic phase ; crystal structure ; chemical bonding ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Bi12Ni4I3: A Subiodide of the Intermetallic Phase Bi3NiBi12Ni4I3 is obtained from the elements at 710 K. X-ray investigations using a single crystal (space group Cmcm, a = 406.54(7), b = 1581.2(3), c = 3455.0(6) pm) show the structure to contain fragments of the intermetallic phase Bi3Ni. These fragments are chains consisting of face-sharing mono-capped trigonal prisms of bismuth atoms. Each prism is centered by a nickel atom. The chains form porous layers which are filled and separated by iodine atoms. The iodine atoms show high coordination numbers of eight and ten, respectively. The oxidation of Bi3Ni to Bi12Ni4I3 causes the interatomic distances within the chains to decrease while the distance between them is increased. Extended Hückel calculations demonstrate that the variation of interatomic distances is directly correlated to the bonding character of the energy levels that are emptied on introduction of iodine.
    Notes: Bi12Ni4I3 wird durch Umsetzung der Elemente bei 710 K erhalten. In der röntgenographisch an einem Einkristall bestimmten Struktur (Raumgruppe Cmcm, a = 406,54(7), b = 1581,2(3), c = 3455,0(6) pm) sind die wesentlichen Baueinheiten der intermetallischen Phase Bi3Ni konserviert. Dabei handelt es sich urn Stränge flächenverknüpfter, einfach überkappter, trigonaler Prismen aus Bismutatomen, welche jeweils ein Nickelatom umgeben. Die Prismenstränge bilden Schichten mit kanalartigen Hohlräumen. In den Kanälen sowie zwischen den Schichten sind Iodatome eingelagert. Die Iodatome weisen ungewöhnlich hohe Koordinationszahlen von acht bzw. zehn auf. Die partielle Oxidation von Bi3Ni zu Bi12Ni4I3 bewirkt eine Verkürzung der Abstände innerhalb der Prismenstränge und eine Verlängerung zwischen ihnen. Extended-Hückel-Rechnungen zeigen, daß die Variation der interatomaren Abstände direkt mit dem Bindungscharakter jener Zustände korreliert ist. welche durch den Einbau des Iods entleert werden.
    Additional Material: 6 Ill.
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    Metallkomplexe mit biologisch wichtigen Liganden. XC. Chirale Cyclopentadienyl-Nitrosyl-Molybdän-Komplexe mit α-Aminocarboxylat-Chelat-Liganden: (η5-C5R5)(ON)(I)Mo(α-Aminocarboxylat) (R = H, Me)Professor Klaus Brodersen zum 70. Geburtstag gewidmet (1997)
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 623 (1997), S. 299-303 
    Details
    ISSN: 0044-2313
    Keywords: Cyclopentadienyl nitrosyl molybdenum complexes ; α-aminocarboxylate ; crystal structure ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Metal Complexes of Biologically Important Ligands. XC [1]. Chiral Cyclopentadienyl-Nitrosyl-Molybdenum Complexes of α-Amino Carboxylates: (η5-C5R5)(ON)(I)Mo(α-aminocarboxylate) (R = H, Me)The reactions of [(η5-C5H5)Mo(NO)I2]2 with glycinate, D-phenylglycinate, L-prolinate and L-azetidine-2-carboxylate give the chiral chelate complexes (η5-C5H5)(ON)(I)Mo(η-aminocarboxylate) as mixtures of isomers. The x-ray diffraction of a crystal of shows trans configuration of the amino acid and nitrosyl donors in a tetragonal pyramid.
    Notes: Die iodoverbrückten Komplexe [(η5-C5H5)Mo(NO)I2]2 setzen sich mit Glycinat, D-Phenylglycinat, L-Prolinat und L-Azetidin-2-carboxylat zu den chiralen Chelat-Komplexen (η5-C5H5)(ON)(I)Mo(α-Aminocarboxylat) um, die als Mischung von Isomeren entstehen. Die Röntgenstrukturanalyse eines Kristalls von zeigt die trans-Konfiguration der Amino- und Nitrosyl-Liganden in einer tetragonalen Pyramide.
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    Zur Struktur platinreicher Aluminium-Platin-Legierungen (1997)
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 623 (1997), S. 362-368 
    Details
    ISSN: 0044-2313
    Keywords: Aluminium/platinum alloys ; crystal structure ; phase transitions ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: The Structure of Platinum-rich Aluminium/Platinum AlloysPlatinum-rich aluminium/platinum alloys have been synthesised via a coupled reaction between aluminium oxide and platinum in a stream of hydrogen at temperatures in the region of 1200°C. The phase richest in aluminium that was prepared was the alloy Al1.16Pt2.84 which crystallises in the AuCu3 structure type. In accordance with the composition, the platinum sites are statistically occupied to a slight extent by aluminium atoms. In a phase somewhat poorer in aluminium (Al1.05Pt2.95), the edge-sharing octahedra consisting almost exclusively of platinum atoms are twisted with respect to each other. The severity of the limited tetragonal distortion which results increases with further decrease in the aluminium content in the phase. A two phase region exists between the limiting composition of this phase and that of the aluminium-poor Pt/Al mixed crystal possessing a statistical atom distribution.By heating the alloys with the slight tetragonal distortion, a second order phase transition into the cubic phase occurs whilst the alloys with a stronger tetragonal distortion undergo a corresponding phase transition which is first order. This result conforms with the idea that, in the former case, the distortion of the platinum octahedra is progressively relieved while in the second case this event results discontinously. Consequently, both the tetragonal and the cubic phase are observed simultaneously in a distinct temperature region.
    Notes: Über eine gekoppelte Reaktion konnten aus Aluminiumoxid und Platin im Wasserstoffstrom bei Temperaturen um 1200°C platinreiche Aluminium-Platin-Legierungen synthetisiert werden.Als aluminiumreichste Phase wurde die im AuCu3-Typ kristallisierende Legierung- Al1,16Pt2,84 erhalten. Entsprechend der Zusammensetzung sind Platinatomlagen zu einem geringen Anteil statistisch durch Aluminiumatome belegt. In einer etwas aluminiumärmeren Phase (Al1,05Pt2,95) sind die fast ausschließlich durch Platinatome gebildeten eckenverknüpften Oktaeder gegeneinander verdreht. Die dadurch be dingte tetragonale Verzerrung nimmt mit weiter sinkendem Aluminiumgehali zu. Zwischen der Grenzzusammensetzung dieser Phase und einem aluminiumarmen Pt-Al-Mischkristall mit statistischer Atomverteilung liegt ein Zweiphasen gebiet.Beim Aufheizen gehen Legierungen mit geringer tetragonaler Verzerrung in einem Reaktionsablauf zweiter Ordnung in die kubische Phase über, bei Legierungen mit stärkerer tetragonaler Verzerrung verläuft eine entsprechende Phasenumwandlung nach der ersten Ordnung ab. Dieses Verhalten entspricht der Vorstellung, daß im ersten Fall die Verdrehung der Platinoktaeder kontinuierlich mit steigender Temperatur aufgehoben wird, wogegen im zweiten Fall dieser Vorgang diskontinuierlich erfolgt und deshalb in einem gewissen Temperaturbereich die tetragonale und die kubische Phase nebeneinander beobachtet werden.
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    Über Ag2SnO3, das erste Silberstannat (1997)
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 623 (1997), S. 1441-1446 
    Details
    ISSN: 0044-2313
    Keywords: Disilvermetastannate ; synthesis ; crystal structure ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: On Ag2SnO3, the First Silver StannateFor the first time, crystals of red Ag2SnO3 have been obtained by solid state reaction of freshly prepared K2Sn(OH)6 and Ag2O at 430°C while applying an oxygen pressure of 350 bar. Ag2SnO3 shows a one dimensional incommensurate superstructure with a′ = 33.1 Å. Here we report on the basic structure of Ag2SnO3. According to the results of X-ray crystal structure determination the basic structure of Ag2SnO3 may be described in P6322 (a = 5.6230(4) Å, c = 12.6694(14) Å, Z = 4, 968 independent reflections, R1 = 5.6%, wR2 = 12.5%). Within the layered “SnO3” partial structure two third of the octahedral voids are occupied by tin. Those SnO3 layers are connected to each other by almost linearly coordinated silver atoms. Additionally, silver occupies the free octahedral voids within the SnO3 sheets. As expressed by the formula Ag[Ag1/3Sn2/3]O2 the structure may be described as a super structure of Delafossite CuFeO2.
    Notes: Rotes Ag2SnO3 wurde erstmals durch Festkörperreaktion von Ag2O und frisch bereitetem K2Sn(OH)6-Gel bei 430°C unter einem ständigen Sauerstoffdruck von 350 bar erhalten. Ag2SnO3 zeigt eine eindimensionale inkommensurable Überstruktur entlang [100] mit a′ = 33,1 Å. Wir berichten hier über die Basisstruktur von Ag2SnO3. Nach den Ergebnissen der Röntgenstrukturanalyse läßt sich die Basisstruktur von Ag2SnO3 in der Raumgruppe P6322 beschreiben (a = 5,6230(4) Å, c = 12,6694(14) Å, Z = 4, 968 symmetrieunabhängige Reflexe, R1 = 5.6%, wR2 = 12,5%). Die, SnO3-Teilstruktur besteht aus Sauerstoffdoppelschichten, innerhalb derer 2/3 der Oktaederlücken von Zinn besetzt sind. Die Schichten sind über nahezu linear koordiniertes Silber verknüpft, zusätzlich ist Silber in freie Oktaederlükken der Sn/O-Schichtpakete eingelagert. Die Struktur von Ag2SnO3 läßt sich als Überstrukturvariante der Delafossitstruktur mit Ag[Ag1/3Sn2/3]O2 beschreiben.
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    RhTeCl - das erste Chalkogenidhalogenid eines Platinmetalls mit Schichtstruktur (1997)
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 623 (1997), S. 583-586 
    Details
    ISSN: 0044-2313
    Keywords: Rhodium ; chalkogenide halide ; chemical transport ; crystal structure ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: RhTeCl - the First Chalcogenide Halide of a Platinum Metal with Layer StructureBlack, platelet like crystals of RhTeCl were obtained by chemical transport reaction. The crystal structure of this new chalkogenide halide of a platinum metal was determined at room temperature by single crystal X-ray diffraction on an “Imaging-Plate” -diffractometer. In contradiction to other known chalkogenide halides of platinum metals RhTeCl crystallizes in a layer structure which is derivable from the CdI2-structure type and which can be refined in the monoclinic spacegroup Cm with the lattice constants a = 1298.81(24), b = 364.05(4), c = 665.28(13) pm, β = 118.76(2)°.
    Notes: Durch chemischen Transport konnten schwarze, plättchenförmige Einkristalle von RhTeCl erhalten werden. Die Kristallstruktur dieses bisher unbekannten Chalkogenidhalogenids eines Platinmetalls wurde röntgenographisch bei Raumtemperatur an einem Einkristall mittels IPDS-Diffraktometerdaten bestimmt. RhTeCl besitzt im Gegensatz zu anderen bekannten Verbindungen dieser Substanzklasse eine schichtartige Kristallstruktur, die sich vom CdI2-Strukturtyp ableiten und mit den Gitterkonstanten a = 1298,81(24), b = 364,05(4), c = 665,28(13) pm, β = 118,76(2)° in der monoklinen Raumgruppe Cm verfeinern läßt.
    Additional Material: 2 Ill.
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    URL: http://dx.doi.org/10.1002/zaac.19976230191
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    Synthesis and Characterization of cis- and trans-Tetrachlorobis(pyridine)platinum(IV)Dedicated to Professor Siegfried Engels on the Occasion of his 65th Birthday (1997)
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 623 (1997), S. 603-607 
    Details
    ISSN: 0044-2313
    Keywords: Platinum complex ; crown ether ; Raman and IR data ; crystal structure ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Synthese und Charakterisierung von cis- und trans-Tetrachlorobis(pyridin)platin(IV)[Na(15-cr-5)]2[PtCl6] · 2 H2O reagiert mit Pyridin in Wasser als Lösungsmittel zu cis-[PtCl4(py)2] (1) und in MeCN, DMF sowie in CH2Cl2 zu trans-[PtCl4(py)2] (2). Die Substitutionsreaktion wird durch Bestrahlung mit sichtbarem Licht beschleunigt. Sowohl gelöst in DMSO, DMF und MeCN als auch bei 503 K im festen Zustand isomerisiert 1 zu 2.1 und 2 sind umfassend IR- und ramanspektroskopisch charakterisiert worden. Die Molekülstruktur des trans-Isomeren 2 wurde auch durch Röntgeneinkristallstrukturunterschung ermittelt (monoklin, C2/m, a = 14.143(5), b = 7.171(3), c = 7.199(3) Å, β = 116.42(4)°, Z = 2, R1 = 0.0331, wR2 = 0.0727). 2 weist angenähert D2h Symmetrie auf, wobei die beiden trans-ständigen Pyridinliganden in einer Ebene liegen. Nach quantenchemischen Berechnungen ist 2 (D2h-Symmetrie) um 48.28 kJ/mol stabiler als 1 (C2v-Symmetrie).
    Notes: [Na(15-cr-5)]2[PtCl6] · 2 H2O reacts with pyridine in water as solvent to give cis-[PtCl4(py)2] (1) and in MeCN, DMF or in CH2Cl2 to give trans-[PtCl4(py)2] (2). The substitution reaction can be accelerated by irradiation with visible light. 1 isomerizes to give 2 in DMSO, DMF and MeCN as well as in solid state at 503 K.1 and 2 were thoroughly characterized IR and Raman spectroscopically. The molecular structure of the trans isomer 2 was also established by X-ray structure analysis (monoclinic, C2/m, a = 14.143(5), b = 7.171(3), c = 7.199(3) Å, β = 116.42(4)°, Z = 2, R1 = 0.0331, wR2 = 0.0727). 2 has nearly D2h symmetry with two trans standing pyridine ligands lying in a plane. According to quantum chemical calculations, 2 (D2h symmetry) is more stable (48.28 kJ/mol) than 1 (C2v symmetry).
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    Über kristalline Natriumhydroxogallate (1997)
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 623 (1997), S. 1483-1488 
    Details
    ISSN: 0044-2313
    Keywords: Nonasodium bis(hexahydroxogallate) trihydroxide hexahydrate ; decasodium bis(hexahydroxogallate) tetrahydroxide ; disodium tetrahydroxogallate chloride ; crystal structure ; 71Ga MAS NMR ; 23Na MAS NMR ; DTA, DTG, guinier lenné technique ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: About Crystalline Sodium HydroxogallatesTwo crystalline sodium hydroxogallates 4,5 Na2O · Ga2O3 · 13,5 H2O (I) and 5 Na2O · Ga2O3 · 8 H2O (II), as well as a crystalline phase of the composition Na2O · Ga2O3 · 4 H2O · 2 NaCl (III) are described.
    Notes: Es werden zwei kristalline Natriumhydroxogallate 4,5 Na2O · Ga2O3 · 13,5 H2O (I) und 5 Na2O · Ga2O3 · 8 H2O (II) sowie eine kristalline Phase der Zusammensetzung Na2O · Ga2O3 · 4 H2O · 2 NaCl (III) beschrieben.(I) kristallisiert aus Natriumgallatlösungen eines breiten Konzentrationsfeldes und hat nach Einkristallröntgenstrukturanalyse [1] eine dreidimensional vernetzte Struktur aus monomeren [Ga(OH)6]3--Anionen, die über NaO6-Koordinationspolyeder untereinander verbunden sind; daneben sind Kristallwasser und weitere Hydroxidionen enthalten.Damit ist (I) als Nonanatrium-bis(hexahydroxogallat)-trihydroxid-hexahydrat (Na9[Ga(OH)6]2(OH)3 · 6 H2O) zu formulieren; Isotypie besteht zu dem entsprechenden Natriumhydroxoaluminat [2, 3]. 5 Na2O · Ga2O3 · 8 H2O II) läßt sich aus (I) in Gegenwart von Natriumhydroxid durch Entwässern über P4O10 bei Raumtemperatur unter Schutzgas (N2) erhalten. Es kristallisiert tetragonal, ist isotyp mit Na10[Al(OH)6]2(OH)4 [4] und dementsprechend als Na10[Ga(OH)6]2(OH)4 zu formulieren. Durch Zusatz von Natriumchlorid zu Natriumgallatlösungen läßt sich Na2O · Ga2O3 · 4 H2O · 2 NaCl (III) isolieren, das ebenfalls tetragonal und isotyp zu Na2[Al(OH)4]Cl [5] ist. Es handelt sich demnach um das Dinatriumtetrahydroxogallatchlorid Na2[Ga(OH)4]Cl. Die Ergebnisse der 71Ga- und 23Na-MASNMR-Messungen an den Verbindungen (I) bis (III) und deren thermisches Verhalten werden diskutiert.(I) crystallizes from sodium gallate solutions in a wide concentration field; from the X-ray single crystal diffraction analysis [1] results a three dimensional network structure, consisting of monomeric [Ga(OH)6]3- anions connected by NaO6 octahedra groups. Furthermore the structure contains water of crystallization and further hydroxide ions. (I) has to be formulated as nonasodium bis(hexahydroxogallate) trihydroxide hexahydrate Na9[Ga(OH)6]2(OH)3 · 6 H2O; it is isotypic with the corresponding sodium hydroxoaluminate [2, 3]. 5 Na2O · Ga2O3 · 8 H2O (II) was obtained from (I) in presence of sodium hydroxide by dehydration over P4O10 in an inert atmosphere (N2) at room temperature. (II) crystallizes tetragonally and is isotypic with Na10[Al(OH)6]2(OH)4 [4]. Accordingly it could be described as a decasodium bis(hexahydroxogallate) tetrahydroxide, Na10[Ga(OH)6]2(OH)4. Na2O · Ga2O3 · 4 H2O · 2 NaCl (III) was obtained by addition of sodium chloride to sodium gallate solutions, (III) crystallizes also tetragonally and is isotypic with (Na2[Al(OH)4]Cl [5]. Correspondingly, it has to be formulated as disodium tetrahydroxogallate chloride Na2[Ga(OH)4]Cl. The results of 71Ga and 23Na MAS NMR investigations of the compounds (I) to (III) and their thermal behaviour are discussed.
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    URL: http://dx.doi.org/10.1002/zaac.19976230925
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    Zur Chemie des Dimesityleisens. XI. Reaktion von Dimesityleisen mit β-Diketonen - Strukturen von Bis(diethylether)-bis(1,3-diphenylpropan-1,3-dionato)eisen(II) und Poly[bis(2,2,6,6-tetramethylheptan-3,5-dionato)eisen(II)-μ-(1,4-dioxan)] (1997)
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 623 (1997), S. 155-158 
    Details
    ISSN: 0044-2313
    Keywords: Dimesityliron ; diketonate complexes ; crystal structure ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Chemistry of Dimesityl Iron. XI. Reaction of Dimesityl Iron with β-Diketones - Structures of Bis(diethylether)-bis(1,3-diphenylpropane-1,3-dionato)iron(II) and Poly[bis(2,2,6,6-tetramethylheptane-3,5-dionato)iron(II)-μ-(1,4-dioxan)]Reactions of tetramesityl diiron, Fe2Mes4 1, with β-diketones in the molar ratio of 1:4 form the diketonate complexes [Fe(diketonate)2]. Acidolysis of 1 with 1,3-diphenylpropane-1,3-dione (Hdbm) forms [Fe(dbm)2(OEt2)2] and with 2,2,6,6-tetramethylheptane-3,5-dione the coordination polymer [{Fe(dpm)2(μ-dioxane)}n] is obtained. The crystal structures of both complexes are presented.
    Notes: Die Umsetzung von Tetramesityldieisen, Fe2Mes4 1, mit β-Diketonen im Verhältnis 1 : 4 ergibt die Diketonatoeisenkomplexe [Fe(diketonat)2]. Aus 1 und Dibenzoylmethan (Hdbm) sowie Dipivaloylmethan (Hdpm) wurden [Fe(dbm)2(OEt2)2] und [{Fe(dpm)2(μ-dioxan)}n] hergestellt und ihre Strukturen bestimmt.
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    Tetrameres Di(-tert-butylamino)di(-N-lithiummethylamino)silan, (Me3CHN)2Si(NLiMe)2 - Darstellung und KristallstrukturProfessor Peter Sartori zum 65. Geburtstag gewidmet (1997)
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 623 (1997), S. 288-291 
    Details
    ISSN: 0044-2313
    Keywords: Tetraaminosilane ; crystal structure ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Tetrameric Di(-tert-butylamino)di(-N-lithiomethylamino)silane, (Me3CHN)2Si(NLiMe)2 - Synthesis and Crystal StructureDi(-tert.-butylamino)dichlorosilane reacts with an excess of methylamine to give di(-tert.-butylamino)di(methylamino)silane 1, (Me3CHN)2Si(NHMe)2. The dilithiumderivative 2, (Me3CHN)2Si(NLiMe)2, is obtained in the reaction of 1 with a molar ratio 1:2 of n-buli in n-hexane. In absence of donorsolvents 2 crystallizes tetrameric. Lithium is coordinated in three different ways and substitutes the methylamino-hydrogen. In the crystal structure two eight-membered (NLiNSi)2-rings are connected by two lithium.
    Notes: Di(-tert.-butylamino)dichlorsilan reagiert mit Methylamin im überschuß zu Di(-tert.-butylamino)di(methylamino)silan 1, (Me3CHN)2Si(NHMe)2. Nach Metallierung mit der bimolaren Menge n-BuLi in n-Hexan wird das Lithiumderivat 2, (Me3CHN)2Si(NLiMe)2, gebildet. In Abwesenheit von Donorsolventien kristallisiert 2 aus n-Hexan als Tetramer. Lithium liegt dabei in drei verschiedenen Koordinationen vor und ersetzt den Methylamin-Wasserstoff. Im Kristall werden zwei achtgliedrige (NLiNSi)2 Ringe über zwei Lithiumionen verbunden.
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    Structures of Bromine Oxygen Compounds (1997)
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 623 (1997), S. 379-383 
    Details
    ISSN: 0044-2313
    Keywords: Bromine oxygen compounds ; crystal structure ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Strukturen von Brom-Sauerstoff VerbindungenDie Kristallstrukturen von Br2O, BrO2F und O2Br—OTeF5 werden beschrieben. Br2O wurde nach einer neuen Methode aus BrOTeF5 und H2O als gelbbrau ner, kristalliner Feststoff erhalten. In der Kristallstruktur (a = 390.4(l), b = 686.2(1), c = 1062.2(2) pm, Raumgruppe Pc21n (Nr. 33), Z = 4) erscheinen gewinkelte (114.2(2)°) Moleküle, die im festen Zustand starke Br … Br Wechsel wirkungen haben, so daß sich eine Kettenstruktur ergibt. BrO2F wurde in bekannter Weise aus KBrO3 und BrF5 her gestellt. Es ist extrem empfindlich gegen. Reduktion. Durch Sublimation erzeugte Einkristalle ergaben eine sechsfache Fehlordnung, die die Sauerstoff- und Fluoratome ununterscheidbar macht (a - ()51.1(2) pm, (α = 47.05(2)°, Raum gruppe R3c, Z = 2). Das BrC2F-Molekül ist pyramidal aufgebaut mit einem durchschnittlichen Bindungswinkel von 103.8(5)°. O2Br-OTeF5 wurde durch Ozonisierung von BrO TeF5 hergestellt und ist ein farbloser Feststoff unterhalb sei ner Schmelz- und Zersetzungstemperatur von -20°C. Es wurde durch Schwingungs- und Kernresonanzspektroskopie und einer Einkristallstrukturanalyse vollständig charakterisiert (a = 517.40(1), b = 614.00(1), c = 1950.70(1) pm, β = 90.61(1)°, Raumgruppe P21/c, Z = 4). Das Molekül hat die erwartete pyramidale Molekülgestalt der BrO3-Gruppe.
    Notes: The crystal structures of Br2O, BrO2F, and O2Br—OTeF5 are reported. Br2O is prepared in a novel manner from BrOTeF5 and H2O, and obtained pure as a yellow brown crystalline solid. The single crystal structure determination a = 390.4(1), b = 686.2(1), c = 1062.2(2) pm, space group Pc21n (No. 33), Z = 4) reveals bent 114.2(2)° Br—O—Br molecules that have strong Br … Br interactions in the solid state resulting in a chain. BrO2F is prepared in the known manner from KBrO3 and BrF5. It is extremely sensitive towards reduction. Crystals obtained by sublimation are rhomboedric with a sixfold disorder making oxygen and fluorine atoms undistinguishable (a = 051.1(2) pm, α = 47.05(2)°, space group R3c, Z = 2). The BrO2F molecular shape is pyramidal with an averaged bond angle of 103.8(3)°. O2Br—O—TeF5 is prepared by ozonisation of Br—O—TeF5 as a colorless solid, mp -20°C. It is fully characterized by vibrational and nmr spetroscopy and a single crystal structure determination (a = 517.40(1), b = 614.00(1), c = 1950.70(1) pm, β= 90.6(1)°, space group P21/c, Z = 4). The molecule has the expected pyramidal geometry at the BrO3 group.
    Additional Material: 6 Ill.
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    URL: http://dx.doi.org/10.1002/zaac.19976230160
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    Synthesis and Crystal Structure of Te8[ReCl6], containing the heavy homologue Te82+ of the chalcogen polycations S82+ and Se82+Dedicated to Professor Alois Haas on the Occasion of his 65th Birthday (1997)
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 623 (1997), S. 409-413 
    Details
    ISSN: 0044-2313
    Keywords: Octatellurium (2+) ; hexachlororhenate (IV) ; chalcogen polycations ; main group element clusters ; crystal structure ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Synthese und Kristallstruktur von Te8[ReCl6], einer Verbindung mit dem schweren Homologen der Chalkogen-Polykationen S82+ und Se82+Durch Reaktion von ReCl4 mit Te und TeCl4 in einer evakuierten, geschlossenen Glasampulle erhält man bei 230°C silberne, metallisch glänzende und luftempfindliche Kristalle von Te8[ReCl6]. Die Kristallstrukturbestimmung zeigt (monoklin, C2/c, Z = 8, a = 1232,5(9) pm, b = 976,4(4) pm, c = 3114(2) pm, β = 90,85(5)°), daβ die Verbindung aus oktaedrischen [ReCl6]2-- und aus Te82+-Ionen aufgebaut ist. Die Kationen sind achtgliedrige Ringe mit einer exo-endo-Konformation und isostrukturell zu den bereits bekannten leichteren Homologen S82+ und Se82+. Die mittlere Te—Te-Bindungslänge beträgt 272 pm, der kürzeste transannulare Te—Te-Abstand 315 pm. Te8[ReCl6] enthält eine neue Form des Te82+-Polykations, dessen Struktur von der des Te82+ in Te8[WCl6]2 abweicht, wo eine ausgeprägt bizyklische Struktur mit einer transannularen Bindung von 299 pm und Kation-Kation-Kontakten, die zu einer gewellten Kette Tenn/4+ führen, gefunden wurde. In der Struktur von Te8[ReCl6] sind die Kationen dagegen voneinander isoliert und nur von Anionen umgeben.
    Notes: The reaction of ReCl4 with Te and TeCl4 in a sealed evacuated glass ampoule at 230°C yields silvery, lustrous, moisture sensitive crystals of Te8[ReCl6]. The crystal structure determination (monoclinic, C2/c, Z = 8, a = 1232.5(9) pm, b = 976.4(4) pm, c = 3114(2) pm, β = 90.85(5)°) shows, that the compound consists of octahedral [ReCl6]2 and of Te82+ ions. The cations are eight-membered rings in an exo-endo conformation and are isostructural to the already known S82+ and Se82+. The mean Te—Te bond length in the ring is 272 pm, the shortest transannular Te—Te bond is 315 pm. Te8[ReCl6] contains a new form of the Te82+ polycation. In contrast, the cations in the previously reported Te8[WCl6]2 have a pronounced bicyclic structure and intercationic bonds leading to an ondulated polymeric Tenn/4+ chain while the cations in the structure of Te8[ReCl6] are isolated from each other and surrounded by anions only.
    Additional Material: 3 Ill.
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    URL: http://dx.doi.org/10.1002/zaac.19976230165
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    Darstellung und Kristallstruktur eines Kaliumnitridophosphats, K3P6N11 (1997)
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 623 (1997), S. 429-433 
    Details
    ISSN: 0044-2313
    Keywords: Potassium nitridophosphate ; synthesis ; crystal structure ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Synthesis and Crystal Structure of a Potassium Nitridophate, K3P6N11Single phase microcrystalline K3P6N11 was obtained by the reaction of P3N5 KNH2 in supercritical ammonia (6 kbr, 500°C) after 7 d reaction time in autoclaves. The structure was solved by X-ray powder diffraction methods. K3P6N11: P4132, a = 10.388(3) Å, Z = 4, RBragg (F02) = 0.087, 51 reflections K3P6N11 contains two- and three-fold corner-sharing tetrahedra PN4. These form a three-dimensional framework with potassium in voids coordinated by (2 + 6) N for K(1) and (3 + 3 + 3) N for K(2).
    Notes: Röntgenographisch phasenreines mikrokristallines K3P6N11 entsteht bei der Umsetzung von P3N5 mit KNH2 in Ammoniak unter ammonothermalen Bedingungen (6kbar, 500°C) nach 7d Reaktionszeit in Autoklaven. Die Struktur konnte über eine Röntgenstrukturanalyse am Pulver geklärt werden. K3P6N11: P4132, a = 10,388(3) Å, Z = 4, RBragg (F02) = 0,087, 51 Reflexe K3P6N11 ist aus zweifach- und dreifach eckenverknüpften Tetraedern PN4 aufgebaut, die ein dreidimensionales Gerüst bilden, in dessen Hohlräumen die Kaliumionen K(l) von (2 + 6) N von K(2) von (3 + 3 + 3) N umgeben sind.
    Additional Material: 4 Ill.
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    URL: http://dx.doi.org/10.1002/zaac.19976230168
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    Synthese und Kristallstruktur von BaZn2(OH)6 · 5 H20 (1997)
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 623 (1997), S. 423-428 
    Details
    ISSN: 0044-2313
    Keywords: Barium hexahydroxodizincate pentahydrate ; synthesis ; crystal structure ; hydroxozincate ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Synthesis and Crystal Structure of BaZn2(OH)6 · 5 H2OThe electrochemical corrosion of zinc in a zinc/iron pair leads in an ammonia containing solution of barium hydroxide at room temperature to colourless platelets of crystals of BaZn2(OH)6 · 5H2O. The X-ray structure determination on these crystals was successful including all hydrogen positions: P21/c, Z = 4, a = 6.181(2) Å, b = 16.126(3) Å, c = 11.121(2) Å, β = 99.69(2)° Z(Fo2 ≥ 3 σ Fo2) = 3281, Z(Var.) = 178, R/Rw = 0.020/0.021 BaZn2(OH)6 · 5 H2O crystallizes in a layer structure. The layers contain Zn2+ in tetrahedral coordination by OH- and Ba2+ in an onefold capped tetragonal antiprism of 6 H2O and 3 OH-. Hydrogen bridge bonds of a further H2O molecule between the layers to OH- and H2O connect these three-dimensionally.
    Notes: Die elektrochemische Korrosion von Zink in einem Zink/Eisen-Paar führt in einer ammoniakalischen wäßrigen Lösung von Bariumhydroxid bei Raumtemperatur zu plättchenförmigen farblosen Kristallen von BaZn2(OH)6 · 5H2O. An ihnen wurde röntgenographisch die Struktur einschließlich aller H-Lagen bestimmt: P21/c, Z = 4, a = 6,181(2) Å, b = 16,126(3) Å, c = 11,121(2) Å, β = 99,69(2)° Z(Fo2 ≥ 3 σ Fo2) = 3281, Z(Var.) = 178, R/Rw = 0,020/0,021 BaZn2(OH)6 · 5H2O kristallisiert in einer Schichtstruktur. Innerhalb der Schichten ist Zn2+ tetraedrisch von OH- und Ba2+ einfach überkappt tetragonal antiprismatisch von 6H2O und 3OH- umgeben. Über Wasserstoffbrückenbindungen eines weiteren Moleküls H2Q zu OH- und H2O sind die Schichten dreidimensional verknüpft.
    Additional Material: 7 Ill.
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    URL: http://dx.doi.org/10.1002/zaac.19976230167
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    Darstellung und Kristallstruktur von LnCu4-xP2 (Ln: Y, La-Yb) sowie von LuCu3-xP2 (1997)
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 623 (1997), S. 608-612 
    Details
    ISSN: 0044-2313
    Keywords: Ternary copper phosphides ; yttrium ; rare earth ; crystal structure ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Preparation and Crystal Structure of LnCu4-xP2 (Ln: Y, La-Yb) and LuCu3-xP2Several new ternary Cu phosphides were prepared by heating mixtures of the elements. The compounds LnCu4-xP2 (Ln: Y, La-Yb) crystallize in the rhombohedral CaCu4P2 type structure (R3m; Z = 3). Single crystal X-ray investigations of EuCu3.8P2, PrCu3.7P2 and GdCu3.7P2 (hexagonal axes see “Inhaltsübersicht”) confirmed this structure and revealed a deviation from full occupancy of one copper position. LuCu3-xP2 (R3m; Z = 6; a = 3.957(1), c = 40.109(3) Å; hex. axes) crystallizes in the YbCu3P2 type structure, which is derived from the CaAl2Si2 and Cu3P type structure.
    Notes: Durch Erhitzen entsprechender Elementgemenge konnte eine Reihe neuer ternärer Cu-Phosphide dargestellt werden. Die Verbindungen LnCu4-xP2 (Ln: Y, La-Yb) kristallisieren in der rhomboedrischen CaCu4P2-Struktur (R3m; Z = 3) mit einer geringfügig unterbesetzten Cu-Punktlage. Dies ergaben Strukturbestimmungen, die mit Einkristallmethoden an EuCu3,8P2 (a = 4,064(1), c = 22,762(2) Å), PrCu3,7P2 (a = 4,035(1), c = 22,318(4) Å) sowie GdCu3,7P2 (a = 3,994(1), c = 21,953(2) Å) (Gitterkonstanten jeweils in hexagonaler Aufstellung) durchgeführt wurden. LuCu3-xP2 (R3m; Z = 6; a = 3,957(1), c = 40,109(3) Å; hex. Aufstellung) kristallisiert im YbCu3P2-Typ, in dem sich längs [001] Baueinheiten abwechseln, die auf den CaAl2Si2- bzw. Cu3P-Strukturtyp zurückzuführen sind.
    Additional Material: 4 Ill.
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    URL: http://dx.doi.org/10.1002/zaac.19976230195
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    Darstellung und Strukturanalyse von Tetrakis-(N-Methylimidazolium)-silacyclopentandichlorid · 2 NMI (1997)
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 623 (1997), S. 633-636 
    Details
    ISSN: 0044-2313
    Keywords: Tetrakis-(N-methylimidazolium)-silacyclopentane-dichloride · 2 NMI ; crystal structure ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Synthesis and Crystal Structure Determination of Tetrakis-(N-Methylimidazolium)-silacyclopentanedichloride · 2 NMIThe reaction of 1,1-dichlorosilacyclopentane with N-methylimidazole in aprotic solvents leads to a 1 : 4 compound, stable at room temperature. The silicon-center of the resulting dication enlarges the coordination number from four to six. Therefore we find the chloride-ions removed from the first area of coordination. They have lost their bonding to the silicon atom. This species is the first Lewisacid/base compound consisting of a heterocyclic alkylsilicon-halide and a nitrogen-base. Two single NMI-molecules per dication are present in the unit cell with no coordination at all. That leads to an exact 1 : 6-ratio of silane to base.
    Notes: 1,1-Dichlorsilacyclopentan reagiert unter Anlagerung von vier N-Methylimidazol (NMI)-Molekülen in aprotischer Lösung zu einem sechsfach koordinierten Siliciumdikation, bie dem beiden Chloridionen aus der ersten Koordinationssphäre verdrängt werden. Hier liegt der erste Verbindungstyp eines Lewis-Säure/Lewis-Base-Adduktes bestehend aus einem heterocyclischen Alkylhalogensilan mit einer Stickstoffbase vor. Zwei weitere NMI-Moleküle befinden sich pro Dikation in der Elementarzelle, was einem exakten Verhältnis von Silan zu NMI von 1 : 6 entspricht.
    Additional Material: 2 Ill.
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    URL: http://dx.doi.org/10.1002/zaac.199762301100
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    The Reaction of P3N3Cl4(NH2)2 with HCl; The Crystal Structure of P3N3Cl5(NH2) (1997)
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 623 (1997), S. 637-641 
    Details
    ISSN: 0044-2313
    Keywords: 2-amino-2,4,4,6,6-pentachloro-2λ5,4λ5,6λ5-cyclo-triphosphaza-l,3,5-trien ; 2,4-diamino-4,4,6,6-tetrachloro-2λ5,4λ5,6λ5-cyclotriphosphaza-l,3,5-trien ; 2,4-diamino-4,4,6,6-tetrachloro-2λ5,4λ5,6λ5-cyclotriphosphaza-l,3,5-trien-l-ium-chloride ; preparation ; crystal structure ; molecular structure ; vibrational spectra ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Die Reaktion von P3N3Cl4(NH2)2 mit HCl; Die Kristallstruktur von P3N3Cl5(NH2)P3N3Cl5(NH2) kann in hoher Reinheit und mit guten Ausbeuten durch Reaktion von P3N3Cl4(NH2)2 mit gasförmigem HCI in Acetonitril erhalten werden. Wird, Diethylether oder Dichlormethan als Lösungsmittel verwendet, scheidet sich die salzartige Verbindung [P3N3CI4H(NH2)2]+Cl als mikrokristallines Produkt aus. Die Kristallstruktur von P3N3Cl5(NH2) wurde durch Röntgen Kristallstrukturanalyse untersucht. Schwingungsspektren und thermisches Verhalten sowohl des P3N3Cl5 (NH2) als auch des [P3N3Cl4H(NH2)2]+Cl - werden kurz diskutiert.
    Notes: P3N3Cl5(NH2) in high purity and a good yield can be obtained by the reaction of P3N3Cl4(NH2)2 with gaseous HCl in acetonitrile. If diethylether or dichlormethane is used as a solvent, a salt-like compound [P3N3Cl4H(NH2)2]+Cl - is formed as a microcrystalline product instead of P3N3Cl5(NH2). The crystal structure of P3N3Cl5(NH2) was determined by X-ray structure analysis. Vibrational spectra and thermic behavior of both P3N3Cl5(NH2) and [P3N3Cl4H(NH2)2]+Cl - are also briefly discussed.
    Additional Material: 2 Ill.
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    URL: http://dx.doi.org/10.1002/zaac.199762301101
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    Synthese und Strukturuntersuchungen von Iodocupraten(I). XVII. Die Kristallstrukturen polymerer Iodo-thiocyanato-metallate(I) mit heterocubanartigen Baueinheiten: [(C2H5)4N+]2∞3[Cu4I4(SCN)4/22-] · 2(CH3)2CO und [(C2H5)4N+]2∞2[Ag 4I4(SCN)4/22-] · (CH3)2COProfessor Joachim Strähle zum 60. Geburtstag gewidmet (1997)
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 623 (1997), S. 687-694 
    Details
    ISSN: 0044-2313
    Keywords: Iodo-thiocyanato cuprate(I) ; Iodo-thiocyanato argentate(I) ; crystal structure ; heterocubane type anions ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Synthesis and Structure Investigations on Iodocuprates(I). XVII. Crystal Structures of Polymeric Iodo-thiocyanato Metallates(I) with Heterocubane-like Structure Units: [(C2H5)4N+]2∞3[Cu4I4(SCN)4/22-] · 2(CH3)2CO and [(C2H5)4N+]2∞2[Ag 4I4(SCN)4/22-] · (CH3)2COThe reaction of CuSCN and AgSCN with (C2H5)4NI in acetone results in the formation of new Iodothiocyanato cuprates(I) or argentates(I) with polymeric anion lattices and areas of holes in which the cations and solvent molecules are inserted.[(C2H5)4N+]2∞3[Cu 4I4(SCN)4/22-] · 2(CH3)2CO 1 crystallizes in the monoclinic space group P21 with a = 1205.7(1), b = 2489.1(3), c = 1238.0(1) pm; β = 93.04(1)°; V = 3710.1(8) 106 pm3; Z = 2. Two different, negatively charged heterocubane units [Cu4I4(SCN)4/22-] are three-dimensionally connected by 1,3-μ-thiocyanato ligands forming a crystal structure with hose-shaped channels where cations and acetone molecules are placed.[(C2H5)4N+]2∞2[Ag 4I4(SCN)4/22-] · (CH3)2CO 2 crystallizes in the orthorhombic space group C2221 with a = 1206.7(1), b = 1398.2(1), c = 2318.8(2) pm; V = 3912.4(7) · 106 pm3; Z = 8. In this compound 1,3-μ-thiocyanato-bridged heterocubane units [Ag4I4(SCN)4/22-] form a layer structure with channel-shaped cavities vertical to them. Within these hollows there is again place for the cations and acetone molecules.
    Notes: Umsetzungen von CuSCN und AgSCN mit Tetraethylammoniumiodid in Aceton führen zu neuartigen, Iodo-thiocyanato-cupraten(I) bzw. -argentaten(I) mit polymeren Anionengittern, in deren Hohlräumen Kationen und Lösungsmittelmoleküle Platz finden.[(C2H5)4N+]2∞3[Cu 4I4(SCN)4/22-] · 2(CH3)2CO 1 kristallisiert in der monoklinen Raumgruppe P21; a = 1205,7(1), b = 2489,1(3), c = 1238,0(1) pm; β = 93,04(1)°; V = 3710,1(8) 106 pm3; Z = 2. Die Kristallstruktur ist aus zwei unterschiedlichen, zweifach negativ geladenen Heterocuban-Einheiten [Cu4I4(SCN)4/22-] aufgebaut. Diese sind über 1,3-μ-Thiocyanat-Liganden dreidimensional vernetzt. Zwischen den eckenverknüpften Heterocuban-Einheiten verlaufen schlauchförmige Kanäle, in denen sich die Kationen und Lösungsmittelmoleküle (Aceton) befinden.[(C2H5)4N+]2∞2[Ag 4I4(SCN)4/22-] · (CH3)2CO 2 kristallisiert in der orthorhombischen Raumgruppe C2221 mit den Zellparametern a = 1206,7(1), b = 1398,2(1), c = 2318,8(2) pm; V = 3912,4(7)· 106 pm3; Z = 8. In dieser Verbindung bilden 1,3-μ-SCN-verbrückte Heterocuban-Gruppen [Ag4I4(SCN)4/22-] polymere Schichten mit senkrecht dazu angeordneten, kanalförmigen Hohlräumen, in denen Kationen und Lösungsmittelmoleküle (Aceton) Platz finden.
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    Se17[NbCl6]2 und Se17[TaBr6]2 - zwei neue Vertreter des Strukturtyps Se17[MX6]2Professor Joachim Strähle zum 60. Geburtstag gewidmet (1997)
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 623 (1997), S. 780-784 
    Details
    ISSN: 0044-2313
    Keywords: Heptadecaselenium(2+) ; Hexachloroniobate(-) ; Hexabromotantalate(-) ; solvothermal reactions ; crystal structure ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Se17[NbCl6]2 and Se17[TaBr6]2 - Two New Compounds in the Structure Type Sel7[MX6]2The reaction of Se, SeCl4 and NbCl5 in SnCl4 in a sealed glass ampoule at 150°C yields Se17[NbCl6]2 and from Se, SeBr4 and TaBr5 in SiBr4 under the same conditions Se17[TaBr6]2 is formed. Both compounds crystallize triclinic in form of black moisture sensitive crystals, space group P1, Z = 2 (Se17[NbCl6]2: a = 1322.3(5) pm, b = 1309.0(6) pm, c = 1144.9(4) pm, α = 99.18(3)°, β = 99.55(3)°, γ = 112.17(3)°; Se17[TaBr6]2; 1354.5(7) pm, b = 1346.0(9) pm c = 1179.5(6) pm, α = 99.26(5)°, β = 97.81(4)°, γ = 112.52(5)°). Both are isotypic to the previously reported Se17[WCl6]2. The structures are built of octahedral [NbCl6] and [TaBr6] ions, respectively, and of (Se17)2+ ions The cations consist of two Se7 rings which are connected by a Se3 chain, and thus contain two three-coordinate Se atoms which carry formally the positive charge.
    Notes: Durch solvothermale Reaktion von Se, SeCl4 und NbCl5 in SnCl4 in einer geschlossenen Ampulle bei 150°C entsteht Se17[NbCl6]2 und aus Se, SeBr4 und TaBr5 in SiBr4 unter analogen Bedingungen Se17[TaBr6]2. Beide Verbindungen kristallisieren triklin in Form schwarzer, hydrolyseempfindlicher Kristalle, Raumgruppe P1, Z = 2 (Se17[NbCl6]2: a = 1322,3(5) pm, b = 1309,0(6) pm, c = 1144,9(4) pm, α = 99,18(3)°, β = 99,55(3)°, γ = 112,17(3)°; Se17[TaBr6]2: 1354,5(7) pm, b = 1346,0(9) pm, c = 1179,5(6) pm, α = 99,26(5)° β = 97,81(4)°, γ = 112,52(5)°) und sind isotyp zu Se17[WCl6]2 Die Strukturen sind aus oktaedrischen [NbCl6]- - bzw. [TaBr6]-- und aus (Se17)2+-Ionen aufgebaut, die aus jeweils zwei Se7-Ringen bestehen, die über eine Se3-Brücke verknüpft sind. Jedes Ion enthält zwei dreibindige Se-Atome, die formal die positive Ladung tragen.
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    Die Kristallstrukturen von CsBiO2 und Cs3BiO3Professor Joachim Strähle zum 60.Geburtstag gewidmet (1997)
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 623 (1997), S. 832-836 
    Details
    ISSN: 0044-2313
    Keywords: Cesiumbismuthate(III) ; synthesis ; crystal structure ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: On the Crystal Structures of CsBiO2 and Cs3BiO3CsBiO2 (pale yellow) and Cs3BiO3 (yellow) were obtained by solid state reactions of the binary components Cs2O und Bi2O3 at temperatures of 700°C and 550°C, respectively, The crystal structure of CsBiO2 (C2/c, a = 827.4(2), b = 920.4(2), c = 597.87(9) pm, β = 122.51(1)°, Z = 4, 975 diffractometer data, R1 = 0.058, wR2 = 0.077) contains infinite ∞1[BiO2/2O′2/2] chains. The structure determination of Cs3BiO3 (P213, a = 920,86(8), Z = 4, 289 diffractometer data, R1 = 0,048, wR2 = 0.081) reveals ‘isolated’ BiO33- groups. In this structure the cation arrangement is the same as that of the atoms in the intermetallic phase Cs3Bi.
    Notes: CsBiO2 (hellgelb) und Cs3BiO3 (gelb) wurden durch Festkörperreaktion aus den binären Komponenten Cs2O und Bi2O3 bei Temperaturen von 700°C bzw. 550°C dargestellt. In CsBiO2 liegen nach der Einkristallröntgenstrukturanalyse (C2/c; a = 827,4(2); b = 920,4(2); c = 597,87(9) pm; β = 122,51(1)°; Z = 4; 975 Diffraktometerdaten; R1 = 0,058; wR2 = 0,077) unendlich ausgedehnte ∞1[BiO2/2O′2/2]-Ketten vor. Die Kristallstruktur von Cs3BiO3 (P213; a = 920,86(8) pm; Z = 4; 289 Diffraktometerdaten; R1 = 0,048; wR2 = 0,081) enthält ‚isolierte‘ pyramidale BiO33--Anionen. Die Kationenanordnung in Cs3BiO3 entspricht der Atom-anordnung in der intermetallischen Phase Cs3Bi.
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    URL: http://dx.doi.org/10.1002/zaac.199762301131
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    Synthesis and crystal structure of M[Nb6Cl15] (M = In, Tl): New Ternary Niobium Halides with Bridged [Nb6Cl18]4- Clusters (1997)
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 623 (1997), S. 908-912 
    Details
    ISSN: 0044-2313
    Keywords: In[Nb6Cl15] ; Tl[Nb6Cl15] ; preparation ; crystal structure ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Synthese und Kristallstruktur von M[Nb6Cl15] (M = In, Tl): Neue ternäre Niobhalogenide mit verbrückten [Nb6Cl18]4- -ClusternDie neuen ternären Niobchloride M[Nb6Cl15] (M = In, Tl) wurden durch Festkörperreaktionen stöchiometrischer Gemische von NbCl5, Niobmetall und MCl3 bei 720°C dargestellt. Die Kristallstruktur von In[Nb6Cl15] wurde aus Einkristall-Röntgendaten bestimmt und in der orthorhombischen Symmetrie (Raumgruppe Pmma, Z = 4) mit a = 1786.6(1) pm, b = 1345,52(9) pm, c = 929,34(8) pm, R = 0,028, Rw = 0,037, GooF = 1,06 für alle symmetrieunabhängigen 1552 Reflexe verfeinert. Die Gitter-parameter der isotypen Verbindung Tl[Nb6Cl15] wurden aus Röntgen-Pulverdiffraktometerdaten verfeinert: a = 1785,9(2) pm, b = 1347,2(2) pm, c = 930,2(1) pm. Die Struktur besteht aus [Nb6Cl18]4--Clustern, die über terminale Chlorid-Liganden miteinander verbunden sind und zwei Sorten senkrecht zueinander stehender Ketten bilden, Diese Ketten sind über weitere terminale Liganden zu einem dreidimensionalen Netzwerk verbunden. Die In+- und Tl+-Ionen sind zehnfach koordiniert (in Form eines verzerrten zweifach bekappten Würfels), mit acht inneren und zwei äußeren Chlorid-Liganden.
    Notes: New ternary niobium chlorides corresponding to the formula M[Nb6Cl15] (M = In, T1) were synthesized from solid state reactions of NbCl5, niobium metal, and MCl3 at 720°C. The crystal structure of In[Nb6Cl15] was determined from single crystal X-ray diffraction studies. The structure was refined in the orthorhombic symmetry (space group Pmma, Z = 4) with a = 1786.6(1) pm, b = 1345.52(8) pm, c = 929.34(8) pm, RF = 0.028 and Rw = 0.037, GooF = 1.06 for all 1552 unique reflections. The lattice parameters of the isotypic Tl[Nb6Cl15] compound were refined from X-ray powder diffraction data: a = 1785.9(2) pm, b = 1347.2(2) pm, c = 930.2(1) pm. The structure of In[Nb6Cl15] is made up of [Nb6Cl18]4- clusters linked to each other through terminal chloride ligands to form two sets of chains perpendicular to each other. The chains are linked through other terminal ligands to yield a three-dimensional network. The In+ or Tl+ ions are located in a ten coordination site (distorted bicapped cubic geometry) made up of eight inner and two outer chloride ligands.
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    URL: http://dx.doi.org/10.1002/zaac.199762301143
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    The crystal structure of 1,4-benzenedithiol by rietveld analysis and studies on the mechanism of solid-state addition polymerization of 1,4-benzenedithiol to 1,4-diethynylbenzene (1997)
    Bognor Regis [u.a.] : Wiley-Blackwell
    Journal of Polymer Science Part A: Polymer Chemistry 35 (1997), S. 1621-1625 
    Details
    ISSN: 0887-624X
    Keywords: 1,4-benzenedithiol ; 1,4-diethynylbenzene ; crystal structure ; solid-state polymerization ; layer structure ; Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The crystal structure of 1,4-benzenedithiol (BDT) was determined by the Rietveld method based on the calculation of the atomic coordinates of the BDT molecule using the Molecular Mechanics Program (MMP2). The refined crystal structure of BDT was monoclinic P21/c with dimensions, a = 7.795, b = 7.290, c = 5.955 Å, β = 92.16°, z = 2. The R factor of the refined structure was 0.038. Using above results, the mechanism of solid-state addition polymerization of BDT to 1,4-diethynylbenzene (DEB) was studied. Sublimed BDT piles up onto glass plate substrate and forms the layer structure along with the a axis. An inclination angle of the piled BDT column was 60° toward the substrate surface. DEB crystal structure was also monoclinic P21/c with a = 4.007, b = 6.018; c = 15.340 Å, β = 91.42°, z = 2. Sublimation of equimolar mixture of BDT and DEB gave a crystal having 1 : 1 composition, in which DEB column is situated between the columns of BDT. Relative arrangement of both monomers was suitable for the addition of —SH and —C=CH groups, since the distance between the two groups is 3.3 Å by CERIUS II calculation. Therefore, the addition polymerization of BDT to DEB easily proceeded by UV irradiation and the resulting polymer had a highly layer structure along with the a axis of BDT crystal. Tentatively estimated crystal structure of polymer obtained is monoclinic with a = 7.73, b = 7.30, c = 5.95 Å, β = 92.16°. © 1997 John Wiley & Sons, Inc. J Polym Sci A: Polym Chem 35: 1621-1625, 1997
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    Computational, pulse-radiolytic, and structural investigations of lysine-136 and its role in the electrostatic triad of human C u,Z n superoxide dismutase (1997)
    New York, NY : Wiley-Blackwell
    Proteins: Structure, Function, and Genetics 29 (1997), S. 103-112 
    Details
    ISSN: 0887-3585
    Keywords: Brownian dynamics ; molecular recognition ; site-directed mutagenesis ; facilitated diffusion ; crystal structure ; Chemistry ; Biochemistry and Biotechnology
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Medicine
    Notes: Key charged residues in Cu,Zn superoxide dismutase (Cu,Zn SOD) promote electrostatic steering of the superoxide substrate to the active site Cu ion, resulting in dismutation of superoxide to oxygen and hydrogen peroxide. Lys-136, along with the adjacent residues Glu-132 and Glu-133, forms a proposed electrostatic triad contributing to substrate recognition. Human Cu,Zn SODs with single-site replacements of Lys-136 by Arg, Ala, Gln, or Glu or with a triple-site substitution (Glu-132 and Glu-133 to Gln and Lys-136 to Ala) were made to test hypotheses regarding contributions of these residues to Cu,Zn SOD activity. The structural effects of these mutations were modeled computationally and validated by the X-ray crystallographic structure determination of Cu,Zn SOD having the Lys-136-to-Glu replacement. Brownian dynamics simulations and multiple-site titration calculations predicted mutant reaction rates as well as ionic strength and pH effects measured by pulse-radiolytic experiments. Lys-136-to-Glu charge reversal decreased dismutation activity 50% from 2.2 × 109 to 1.2 × 109 M-1 s-1 due to repulsion of negatively charged superoxide, whereas charge-neutralizing substitutions (Lys-136 to Gln or Ala) had a less dramatic influence. In contrast, the triple-mutant Cu,Zn SOD (all three charges in the electrostatic triad neutralized) surprisingly doubled the reaction rate compared with wild-type enzyme but introduced phosphate inhibition. Computational and experimental reaction rates decreased with increasing ionic strength in all of the Lys-136 mutants, with charge reversal having a more pronounced effect than charge neutralization, implying that local electrostatic effects still govern the dismutation rates. Multiple-site titration analysis showed that deprotonation events throughout the enzyme are likely responsible for the gradual decrease in SOD activity above pH 9.5 and predicted a pKa value of 11.7 for Lys-136. Overall, Lys-136 and Glu-132 make comparable contributions to substrate recognition but are less critical to enzyme function than Arg-143, which is both mechanistically and electrostatically essential. Thus, the sequence-conserved residues of this electrostatic triad are evidently important solely for their electrostatic properties, which maintain the high catalytic rate and turnover of Cu,Zn SOD while simultaneously providing specificity by selecting against binding by other anions. Proteins 29:103-112, 1997. © 1997 Wiley-Liss, Inc.
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    Bactericidal antibody recognition of a PorA epitope of Neisseria meningitidis: Crystal structure of a Fab fragment in complex with a fluorescein-conjugated peptide (1997)
    New York, NY : Wiley-Blackwell
    Proteins: Structure, Function, and Genetics 29 (1997), S. 113-125 
    Details
    ISSN: 0887-3585
    Keywords: bactericidal antibody ; crystal structure ; Neisseria meningitidis ; peptide-fluorescein conjugate ; PorA outer membrane protein ; Chemistry ; Biochemistry and Biotechnology
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Medicine
    Notes: Class 1 outer membrane protein PorA of Neisseria meningitidis is a vaccine candidate against bacterial meningitis. Antibodies against PorA are able to induce complement-mediated bacterial killing and thereby play an important role in protection against meningococcal disease. Bactericidal antibodies are all directed against variable regions VR1 and VR2 of the PorA sequence, corresponding to loops 1 and 4 of a two-dimensional topology model of the porin with eight extracellular loops. We have determined the crystal structure to 2.6 Å resolution of the Fab fragment of bactericidal antibody MN12H2 against meningococcal PorA in complex with a linear fluorescein-conjugated peptide TKDTNNNL derived from the VR2 sequence of sero-subtype P1.7,16 (residues 180-187) from meningococcal strain H44/76. The peptide folds deeply into the binding cavity of the Fab molecule in a type I β-turn, with the minimal P1.16 epitope DTNNN virtually completely buried. The structure reveals H-bonds and van der Waals interactions with all minimal epitope residues and one essential salt bridge between Asp-182 of the peptide and His-31 of the MN12H2 light chain. The key components of the recognition of PorA epitope P1.16 by bactericidal antibody MN12H2 correspond well with available thermodynamic data from binding studies. Furthermore, they indicate the structural basis of an increased endemic incidence of infection by group B meningococci in England and Wales since 1981 associated with the occurrence of an Neisseria meningitidis escape mutant (strain MC58). The observed three-dimensional conformation of the peptide provides a rationale for the development of a synthetic peptide vaccine against meningococcal disease. Proteins 29:113-125, 1997. © 1997 Wiley-Liss, Inc.
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    Large differences are observed between the crystal and solution quaternary structures of allosteric aspartate transcarbamylase in the R state (1997)
    New York, NY : Wiley-Blackwell
    Proteins: Structure, Function, and Genetics 27 (1997), S. 110-117 
    Details
    ISSN: 0887-3585
    Keywords: small-angle scattering ; x-rays ; allosteric enzymes ; crystal structure ; rigid body modeling ; Chemistry ; Biochemistry and Biotechnology
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Medicine
    Notes: Solution scattering curves evaluated from the crystal structures of the T and R states of the allosteric enzyme aspartate transcarbamylase from Escherichia coli were compared with the experimental x-ray scattering patterns. Whereas the scattering from the crystal structure of the T state agrees with the experiment, large deviations reflecting a significant difference between the quaternary structures in the crystal and in solution are observed for the R state. The experimental curve of the R state was fitted by rigid body movements of the subunits in the crystal R structure which displace the latter further away from the T structure along the reaction coordinates of the T→R transition observed in the crystals. Taking the crystal R structure as a reference, it was found that in solution the distance between the catalytic trimers along the threefold axis is 0.34 nm larger and the trimers are rotated by 11° in opposite directions around the same axis; each of the three regulatory dimers is rotated by 9° around the corresponding twofold axis and displaced by 0.14 nm away from the molecular center along this axis. Proteins 27:110-117 © 1997 Wiley-Liss, Inc.
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    RNA crystallography (1997)
    New York : Wiley-Blackwell
    Biopolymers 44 (1997), S. 3-21 
    Details
    ISSN: 0006-3525
    Keywords: RNA ; x-ray crystallography ; crystal structure ; transfer RNA ; ribozyme ; catalytic RNA ; internal loop ; review ; Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The current state of three-dimensional structure analysis of RNA by x-ray crystallograpy is summarized. The methods of sample preparation, crystallization, data collection, and structure solution are discussed, followed by a review of the RNA structures that have been determined and of common structural features, and finally, an appraisal of future prospects for x-ray crystal structure analysis of RNA. © 1997 John Wiley & Sons, Inc. Biopoly 44: 3-21, 1997
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  • 62
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    Role of two consecutive α,β-dehydrophenylalanines in peptide structure: Crystal and molecular structure of Boc-Leu-ΔPhe-ΔPhe-Ala-Phe-NHMe (1997)
    New York : Wiley-Blackwell
    Biopolymers 42 (1997), S. 373-382 
    Details
    ISSN: 0006-3525
    Keywords: x-ray diffraction ; crystal structure ; dehydrophenylalanine ; constrained peptides ; 310-helix ; Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: An Nα-protected model pentapeptide containing two consecutive ΔPhe residues, Boc-Leu-ΔPhe-ΔPhe-Ala-Phe-NHMe, has been synthesized by solution methods and fully characterized. 1H-nmr studies provided evidence for the occurrence of a significant population of a conformer having three consecutive, intramolecularly H-bonded β-bends in solution. The solid state structure has been determined by x-ray diffraction methods. The crystals grown from aqueous methanol are orthorhombic, space group P212121, a = 11.503(2), b = 16.554(2), c = 22.107(3) Å, V = 4209(1) Å,3 and Z = 4. The x-ray data were collected on a CAD4 diffractometer using CuKa radiation (λ = 1.5418 Å). The structure was determined using direct methods and refined by full-matrix least-squares procedure. The R factor is 5.3%. The molecule is characterized by a right handed 310-helical conformation (〈φ〉 = -68.2°, 〈ψ〉 = -26.3°), which is made up of two consecutive type III β-bends and one type I β-bend. In the solid state the helical molecules are aligned head-to-tail, thus forming long rod like structures. A comparison with other peptide structures containing consecutive ΔPhe residues is also provided. The present study confirms that the -ΔPhe-ΔPhe-sequence can be accommodated in helical structures. © 1997 John Wiley & Sons, Inc. Biopoly 42: 373-382, 1997
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    Synthesis, conformation, and biological activity of two fMLP-OMe analogues containing the new 2-[2′-(methylthio) ethyl] methionine residue (1997)
    New York : Wiley-Blackwell
    Biopolymers 42 (1997), S. 415-426 
    Details
    ISSN: 0006-3525
    Keywords: chemotaxis ; conformation ; crystal structure ; Cα-tetrasubstituted amino acids ; formylpeptides ; 2-[2′-(methylthio)ethyl]methionine ; Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The new Cα-tetrasubstituted α-amino acid residue 2-[2′-(methylthio) ethyl]methionine (Dmt) has been introduced into the reference chemotactic tripeptide HCO-Met-Leu-Phe-OMe (fMLP-OMe) in place of the leucine or methionine, respectively. The biological activity of the new analogues [Dmt2] fMLP-OMe (2) and [Dmt1] fMLP-OMe (3) has been determined; whereas 2 is active toward human neutrophils, stimulating directed migration, superoxide anion generation, and lysozyme release, 3 results practically inactive in all tested assays. A conformational analysis on 2 and 3 has been performed in solution by using ir absorption and 1H-nmr. The conformation of 2 was also examined in the crystal by x-ray diffraction methods. Both 2 and 3 adopt fully extended conformation in correspondence with the Dmt residue. Biological and conformational results are discussed and compared with related previously studied models. © 1997 John Wiley & Sons, Inc. Biopoly 42: 415-426, 1997
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    Crystalline structure of poly(methyl-n-propylsilane) (1997)
    Bognor Regis [u.a.] : Wiley-Blackwell
    Journal of Polymer Science Part B: Polymer Physics 35 (1997), S. 1533-1543 
    Details
    ISSN: 0887-6266
    Keywords: polysilane ; lamellar microstructure ; crystal structure ; crystallization kinetics ; Physics ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Notes: The thermal behavior and physical structure of atactic poly(methyl-n-propylsilane) (PMPrS) have been investigated by complementary techniques. Temperature-dependent wide-angle X-ray scattering as well as thermal analysis clearly indicate that atactic PMPrS crystallizes below 40°C in a monoclinic lattice with PMPrS adopting an all-trans planar zigzag conformation. Above 40°C, the polymer is in the isotropic amorphous state. A restricted analysis of the structure factors of PMPrS has been performed, indicating that the zigzag planes most probably lie in (110) planes. The chains pack with little interpenetration, and the crystals may be considered as bundles of long, closely packed prisms. The restricted interlocking of neighboring chains results, in turn, in a poor register of the chains along the c-axis. Moreover, transmission electron microscopy reveals that the crystallized polymer adopts a lamellar microstructure, with parallel lamellae tending to form tight bundles. Both electron microscopy and small-angle X-ray scattering indicate crystal thicknesses of about 60 Å. Finally, PMPrS was found to crystallize with a nucleation-controlled type of kinetics. Avrami exponents were calculated as n ≈ 1, suggesting a fibrillar growth geometry compatible with the absence of spherulitic superstructure. A double-melting behavior is also observed for PMPrS. © 1997 John Wiley & Sons, Inc. J Polym Sci B: Polym Phys 35: 1533-1543, 1997
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    A study of the dilation of the unit cell of metallocene isotactic poly(propylenes): The monoclinic form (1997)
    Bognor Regis [u.a.] : Wiley-Blackwell
    Journal of Polymer Science Part B: Polymer Physics 35 (1997), S. 2511-2521 
    Details
    ISSN: 0887-6266
    Keywords: isotactic poly(propylenes) ; unit-cell density ; crystal structure ; unit-cell parameters ; Physics ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Notes: The lattice parameters of a series of monoclinic metallocene poly(propylenes) of constant molecular weight are measured as a function of defect content, that vary between 0.3 and 2.35 total defects per 100 monomeric units. The parameters are also measured as a function of molecular weight for a fixed defect content and as a function of the crystallization temperature. The b axis is found to increase with decreasing isothermal crystallization temperature whereas only small changes are found for samples rapidly crystallized. The a and c axis showed basically no variation with crystallization temperature. The parameters of the unit cell were essentially constant with varying defect content in the poly(propylene) chain. Lack of observed effect on the dilation of the unit cell by increasing defects is a consequence of the rapid crystallization required to ensure formation of monoclinic crystals. The unit cell parameters increased as a mild function of the molecular weight. © 1997 John Wiley & Sons, Inc. J Polym Sci B: Polym Phys 35: 2511-2521, 1997
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    Morphology, crystal structure, and orientation of poly-p-oxybenzoate on mica (1997)
    Bognor Regis [u.a.] : Wiley-Blackwell
    Journal of Polymer Science Part B: Polymer Physics 35 (1997), S. 1807-1820 
    Details
    ISSN: 0887-6266
    Keywords: poly(p-oxybenzoate) ; confined thin film melt polymerization ; epitaxy ; mica substrate ; morphology ; crystal structure ; Physics ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Notes: Polymerization of p-acetoxybenzoic acid between mica sheets, from both the melt and dilute solution, in a wide range of polymerization temperatures (180-400°C) yields an epitaxial-like overgrowth of PpOBA on the mica cleavage surface. The PpOBA overgrowth forms long rows by lateral aggregation of ribbon crystals situated in three substrate directions rotated by 60°. The c-axes of the PpOBA phase I and II lattices are parallel to the 001 plane of the mica, coinciding with the a-axes of the mica hexagonal structure. The aI- and bII-axes lie predominantly on the mica surface. The surface-orienting effect is tentatively attributed to surface steps and or/polar effects; lattice matching does not occur. The recrystallization of bulk polymer samples previously prepared also leads to ordering between mica like that in melt or solution polymerization. © 1997 John Wiley & Sons, Inc. J Polym Sci B: Polym Phys 35: 1807-1820, 1997
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    Electron diffraction and computer modeling of poly(naphthalic anhydride) crystal structure (1997)
    Bognor Regis [u.a.] : Wiley-Blackwell
    Journal of Polymer Science Part B: Polymer Physics 35 (1997), S. 1575-1588 
    Details
    ISSN: 0887-6266
    Keywords: poly(naphthalic anhydride) ; crystal structure ; electron diffraction ; confined thin film melt polymerization ; Physics ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Notes: Single crystals of poly(naphthalic anhydride) (PNA) have been grown using our confined thin film melt polymerization technique. Lamellae, 70-100 Å thick, are found for the crystals polymerized at 180°C with thinner lamellae for a 200°C polymerization temperature. In addition, irregular lath-shaped crystals are found for both polymerization temperatures, apparently formed by a solid-state polymerization process within the original needle-like monomer crystals. The crystal structure of PNA has been studied by electron diffraction (ED) and computer modeling based on seven different zonal ED patterns. It is found that, in most cases, two or three different zonal patterns are superimposed with a common plane, suggesting variable chain tilting even in individual lamellae. Shearing of the material shortly after the initiation of polymerization, permitted obtaining an additional [010] zone ED pattern. A monoclinic unit cell with one chain, two repeat units is proposed based on measurements of 21 independent reflections; the space group is Pc11; a = 6.26 Å, b = 4.33 Å, c = 18.60 Å, and α = 122.5°. The computer-simulated (Cerius2) molecular conformation and chain packing are described with the corresponding simulated electron diffraction patterns being in good agreement with the observed ones. © 1997 John Wiley & Sons, Inc. J Polym Sci B: Polym Phys 35: 1575-1588, 1997
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    Structural transformation of ultra-high modulus and molecular weight polyethylene fibers by high-temperature wide-angle X-ray diffraction (1997)
    Bognor Regis [u.a.] : Wiley-Blackwell
    Journal of Polymer Science Part B: Polymer Physics 35 (1997), S. 623-630 
    Details
    ISSN: 0887-6266
    Keywords: ultra-high modulus and molecular weight polyethylene fibers (UHM-WPE) ; high-temperature wide-angle x-ray diffraction (HTWAXD) ; crystal structure ; orthorhombic/monoclinic/pseudohexagonal transformation ; annealing and thermal behavior ; Physics ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Notes: Wide-angle x-ray diffraction (WAXD) of the ultra-high modulus and molecular weight polyethylene (UHMWPE) fibers at room temperature shows a predominantly orthorhombic structure with trace amount of nonorthorhombic crystals and very low amorphous contents. The calculated unit cell dimensions a and b of the orthorhombic crystals are 7.36 (±0.04) Å, and 4.89 (±0.04) Å, respectively. The apparent crystallite sizes perpendicular to the orthorhombic 110 and 200 reflection planes are 169.8 and 143.4 Å, respectively. The crystallite size perpendicular to the nonorthorhombic 010 reflection is 149.4 Å. The crystal density is calculated to be 1.02 g/cc. With increasing temperature, the thermal expansion coefficient in the a direction is much higher than that in the b direction which explains the structural transformation from the orthorhombic crystals to a pseudohexagonal form. Tension along the fiber axis while being heated during the high-temperature x-ray diffraction (HTWAXD) scanning has shown enhanced structural transformation from the orthorhombic form to the monoclinic form. Structural transformation from the orthorhombic form to the pseudohexagonal phase is not observed on the UHMWPE fibers under axial tension or annealing conditions in HTWAXD. © 1997 John Wiley & Sons, Inc. J Polym Sci B: Polym Phys, 35: 623-630, 1997
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    Synthese, Kristallstrukturen und Absorptionsspektren der neuen „Cupriosilicate“: K6[CuSi2O8] und Rb4[CuSi2O7]Professor Rudolf Hoppe zum 75. Geburtstag gewidmet (1997)
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 623 (1997), S. 1685-1692 
    Details
    ISSN: 0044-2313
    Keywords: New oxides of divalent copper ; crystal structure ; MAPLE ; absorption spectra ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Synthesis, Crystal Structures, and Absorption Spectra of the New “Cupriosilicates”: K6[CuSi2O8] and Rb4[CuSi2O7]K6[CuSi2O8] and Rb4[CuSi2O7] were obtained by annealing intimate mixtures of K2O and Rb2O, respectively, CuO and SiO2 in sealed Ag cylinders at 500°C as transparent greenish-blue single crystals. The structure solution (IPDS-data Mo Kα; K6[CuSi2O8]: 1292 F2(hkl), R1 = 0.059; wR2 = 0.103 and Rb4[CuSi2O7]: 763 F2(hkl), R1 = 0.049; wR2 = 0.114) confirms the space group P1 for both compounds. K6[CuSi2O8]: a = 619.4(2); b = 665.5(2); c = 753.0(2) pm; α = 83.66(3); β = 87.71(3); γ = 70.19(3)°; Z = 1. Rb4[CuSi2O7]: a = 631.9(9); b = 707.5(10); c = 715.2(6) pm; α = 114.2(1); β = 100.7(1); γ = 107.9(1)°; Z = 1. The Madelung Part of the Lattice Energy, MAPLE, Effective Coordination Numbers, ECoN, these calculated via Mean Effective Ionic Radii, MEFIR, are given. The absorption spectra of K6[CuSi2O8] and Rb4[CuSi2O7] are discussed in terms of the Angular Overlap Model, AOM.
    Notes: K6[CuSi2O8] und Rb4[CuSi2O7] wurden erstmals durch Tempern innig verriebener Gemenge aus K2O bzw. Rb2O, CuO und SiO2 in verschlossenen Ag-Zylindern bei 500°C in Form von transparenten blaugrünen Einkristallen erhalten. Die Strukturaufklärung (IPDS-Datensätze, Mo-Kα; K6[CuSi2O8]: 1292 F2(hkl), R1 = 0,059; wR2 = 0,103 und Rb4[CuSi2O7]: 763 F2(hkl), R1 = 0,049; wR2 = 0,114) belegt die Raumgruppe P1 für beide Verbindungen. K6[CuSi2O8]: a = 619,4(2); b = 665,5(2); c = 753,0(2) pm; α = 83,66(3); β = 87,71(3); γ = 70,19(3)°; Z = 1. Rb4[CuSi2O7]: a = 631,9(9); b = 707,5(10); c = 715,2(6) pm; α = 114,2(1); β = 100,7(1); γ = 107,9(1)°; Z = 1. Der Madelunganteil der Gitterenergie, MAPLE, sowie Effektive Koordinationszahlen, ECoN, aus Mittleren Fiktiven Ionenradien, MEFIR, erhalten, werden angegeben. Die Absorptionsspektren von K6[CuSi2O8] und Rb4[CuSi2O7] werden anhand des Angular-Overlap-Modells, AOM, diskutiert.
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    Zur Polymorphie von SrNi2P2 sowie zur Kristallstruktur von BaNi2P2Professor Rudolf Hoppe zum 75. Geburtstag gewidmet (1997)
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 623 (1997), S. 1699-1704 
    Details
    ISSN: 0044-2313
    Keywords: Ternary nickel phosphides ; strontium ; barium ; crystal structure ; phase transition ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: About Polymorphism of SrNi2P2 and Crystal Structure of BaNi2P2SrNi2P2 and BaNi2P2 were prepared by heating mixtures of the elements and investigated by single crystal X-ray methods. The Sr compound at room temperature crystallizes in a superstructure of the ThCr2Si2 type (NT-phase; Immm; Z = 6; a = 3.951(2), b = 11.853(2), c = 10.432(2) Å), which is caused by displacements of the atoms from the ideal positions; the P—P distances are 2.45 and 3.28 Å. With increasing temperature at 45°C (ambient pressure) and increasing pressure at 4 kbar (room temperature) respectively the compound undergoes first order phase transitions and crystallizes after that in the undistorted ThCr2Si2 type (I4/mmm; Z = 2). While the P atoms of the high temperature phase (HT-SrNi2P2: a = 3.948(1), c = 10.677(3) Å; 100°C) are isolated from each other (dp p: 3.12 Å) they most probably form pairs in the high pressure phase (HD-SrNi2P2: a = 4.003(1), c = 9.761(2) Å; ca. 4 kbar). This will be discussed on the basis of band structure calculations. BaNi2P2 (a = 3.947(1), c = 11.820(1) Å) also crystallizes in the ThCr2Si2 type structure, the P—P distance is extended to 3.71 Å.
    Notes: SrNi2P2 und BaNi2P2 wurden durch Erhitzen entsprechender Elementgemenge dargestellt und röntgenographisch mit Einkristallmethoden untersucht. Die Sr-Verbindung kristallisiert bei Normaltemperatur in einer Überstruktur des ThCr2Si2-Typs (NT-SrNi2P2: Immm; Z = 6; a = 3,951(2), b = 11,853(2), c = 10,432(2) Å), die durch Auslenkung der Atome aus den idealen Positionen verursacht wird. Die P—P-Abstände längs [001] betragen 2,45 und 3,28 Å. Die Verbindung durchläuft mit steigender Temperatur bei 45°C (Normaldruck) sowie mit zunehmendem Druck bei ca. 4 kbar (Normaltemperatur) jeweils eine Phasenumwandlung 1. Ordnung und kristallisiert dann im unverzerrten ThCr2Si2-Strukturtyp (I4/mmm; Z = 2). Während bei der Hochtemperaturphase (HT-SrNi2P2: a = 3,948(1), c = 10,677(3) Å; 100°C) der P—P-Abstand längs [001] 3,12 Å beträgt, liegt er bei der Hochdruckphase (HD-SrNi2P2: a = 4,003(1), c = 9,761(2) Å; ca. 4 kbar) dem c/a-Verhältnis zufolge vermutlich bei 2,45 Å. Die Gründe für die Phasenumwandlungen werden an Hand der elektronischen Struktur diskutiert, BaNi2P2 (a = 3,947(1), c = 11,820(1) Å) kristallisiert ebenfalls im ThCr2Si2-Typ, der P—P-Abstand längs [001] ist hier auf 3,71 Å aufgeweitet.
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  • 71
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    Über Alkaliselenobismutate(III), mit einer Bemerkung zum Th3P4-TypProfessor Rudolf Hoppe zum 75. Geburtstag gewidmet (1997)
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 623 (1997), S. 1715-1718 
    Details
    ISSN: 0044-2313
    Keywords: Ternary metal selenides ; crystal structure ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: About Alkali Seleno Bismuthates (III), with a Comment Regarding the Th3P4 Structure TypeThe synthesis and X-ray single crystal structure determination of the ternary selenides Rb3BiSe3, Cs3BiSe3, and RbK2BiSe3 are described. The compounds were synthesized via a reaction of Bi2O3 with the alkali carbonate in a selencharged hydrogen stream at 850°C. They crystallize in the Na3AsS3 structure type (space group P213). In the discussion of the structure, the aristotypic Th3P4 structure is included.
    Notes: Es wird über die Darstellung und Einkristallstrukturbestimmung der ternären Selenide Rb3BiSe3, Cs3BiSe3 und RbK2BiSe3 berichtet. Die Synthese gelingt durch Umsetzungen von Bi2O3 mit dem entsprechenden Alkalicarbonat in einem mit Selen beladenen Wasserstoffstrom bei 850°C. Die Verbindungen kristallisieren im Na3AsS3-Typ (Raumgruppe P213). In die Strukturdiskussion wird der Th3P4-Typ als Aristotyp mit einbezogen.
    Additional Material: 2 Ill.
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    URL: http://dx.doi.org/10.1002/zaac.19976231107
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  • 72
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    Nitridsulfidchloride der Lanthanide: III. Synthese und Kristallstruktur von Pr5N3S2Cl2Professor Rudolf Hoppe zum 75. Geburtstag gewidmet (1997)
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 623 (1997), S. 1747-1752 
    Details
    ISSN: 0044-2313
    Keywords: Lanthanides ; nitride sulfide chlorides ; Pr5N3S2Cl2 ; synthesis ; crystal structure ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Nitride Sulfide Chlorides of the Lanthanides. III. Synthesis and Crystal Structure of Pr5N3S2Cl2By reacting praseodymium with sulfur, sodium azide and praseodymium trichloride in sealed, evacuated silica tubes (850°C, 7 d), the nitride sulfide chloride Pr5N3S2Cl2 is obtained in case of a 4:2:1:1 molar ratio of the reactants (Pr:S:NaN3:PrCl3). A slight excess of trichloride or the addition of NaCl as a flux supports the yield of brownish red, rod-shaped transparent crystals which prove to be stable against hydrolysis. The crystal structure (monoclinic, C2/m (no. 12), a = 1540.2(1), b = 400.92(3), c = 1656.3(1) pm, β = 101.24(1)°, Z = 4, R = 0.039, Rw = 0.028) was determined by means of X-ray single crystal data. Thus five crystallographically different cations (Pr3+) are present which with three distinct kinds of nitride anions (N3-) build up two types of translationally commensurate chains from interconnected [NPr4] tetrahedra. With an additional edge per “chain-link” in chain I, two single chains ∞1[NPr3/3ePr1/1t]3+ (≡∞1[NPr2]3+) of cis-edge connected [NPr4] tetrahedra (known from the Sm4N2S3-type structure) are condensed into the double chain ∞1[(N1){(Pr1)(2+2)/(2+2)e,e(Pr2)(2+1)/(2+1)e,v}(N2)(Pr3)1/1t]3+ (≡∞1[N2Pr3]3+). Chain II consists of two single chains ∞1[NPr2/2vPr2/1t] 6+ (≡∞1[NPr3]6+) of vertex-connected [NPr4] tetrahedra (known from the Sm3NS3-type structure), which are condensed to the double chain ∞1[(N3)(Pr4)2/2e(Pr5)2/2v]3+ (≡∞1[NPr2]3+) via an additional edge per “chain-link” too. Both types of chains are bundled along [010] like a closest packing of rods. Four crystallographically different but by X-ray diffraction indistinguishable anions S2- and Cl- hold both cationic double chains together and also adjust the charge balance in a molar ratio of 1 : 1.
    Notes: Durch Umsetzung von Praseodym mit Schwefel, Natriumazid und Praseodymtrichlorid in evakuierten Quarzglasampullen (850°C, 7 d) wird bei molaren Verhältnissen der Edukte (Pr:S:NaN3:PrCl3) von 4:2:1:1 das Nitridsulfidchlorid Pr5N3S2Cl2 erhalten. Ein geringer Überschuß an Trichlorid oder der Zusatz von NaCl als Flußmittel fördert die Bildung von braunroten, stäbchenförmigen, transparenten Kristallen, die sich als unempfindlich gegenüber Hydrolyse erweisen. Die Kristallstruktur (monoklin, C2/m (Nr. 12); a = 1540,2(1); b = 400,92(3); c = 1656,3(1) pm; β = 101,24(1)°, Z = 4; R = 0,039; Rw = 0,028) wurde röntgenographisch anhand von Einkristalldaten bestimmt. Danach liegen fünf kristallographisch unterschiedliche Kationen. (Pr3+) vor, die mit drei verschiedenen Sorten von Nitridionen (N3-) zwei Typen translationskommensurabler Stränge aus verknüpften [NPr4]-Tetraedern bilden. In Strang I werden zwei Einfachketten ∞1[NPr3/3kPr1/1t]3+ (≡∞1[NPr2]3+) cis-kantenverknüpfter [NPr4]-Tetraeder (bekannt aus der Sm4N2S3-Struktur) über eine zusätzliche Kante pro „Kettenglied“ zur Doppelkette ∞1[(N1){(Pr1)(2+2)/(2+2)k,k(Pr2)(2+1)/(2+1)k,e}(N2)(Pr3)1/1t]3+ (≡∞1[N2Pr3]3+) verknüpft. Strang II besteht aus zwei Einfachketten ∞1[NPr2/2ePr2/1t]6+ (≡∞1[NPr3]6+) eckenverknüpfter [NPr4]-Tetraeder (bekannt aus der Sm3NS3-Struktur), die über eine zusätzliche Kante pro „Kettenglied“ zur Doppelkette ∞1[(N3)(Pr4)2/2k(Pr5)2/2e]3+ (≡∞1[NPr2]3+) kondensiert sind. Beide Strangsorten ordnen sich längs [010] nach dem Motiv einer dichtesten Stabpackung an. Vier kristallographisch unterschiedliche, röntgenographisch jedoch nicht unterscheidbare Anionen S2- und Cl- sorgen für den Zusammenhalt der kationischen Doppelketten und regeln im molaren Verhältnis von 1 : 1 auch den Ladungsausgleich.
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    URL: http://dx.doi.org/10.1002/zaac.19976231114
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    Die Kristallstruktur von (Al0,5Ga0,5)CuOAsO4 - Kupfer zwischen planarer und geschlossener KoordinationProfessor Rudolf Hoppe zum 75. Geburtstag gewidmet (1997)
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 623 (1997), S. 1781-1785 
    Details
    ISSN: 0044-2313
    Keywords: Copper ; aluminium ; gallium ; oxide arsenate ; crystal structure ; oxidation of alloys ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: The Crystal Structure of (Al0,5Ga0,5)CuOAsO4 - Copper Intermediate between Planar and Closed CoordinationSingle crystals of the new oxide arsenate (Al0.5Ga0.5)CuOAsO4 (monoclinic, P21/c, a = 734.3(2) pm, b = 1024.79(9) pm, c = 563.4(2) pm, β = 99.93(1)°, Z = 4) were obtained by reaction of Al/As/Cu/Ga-alloys with oxygen. The crystal structure was determined from four-circle diffractometer data (w2R = 0.039 for 1211 F2 values and 76 parameters). The structure contains [Cu2O6] double squares arranged in slabs perpendicular to the a axis such that a [4 + 1]-coordination of the copper atoms by oxygen atoms results which is intermediate between square-planar and square-pyramidal. Along [100] layers of corner sharing (Al/Ga)O4 and AsO4 tetrahedra are alternating with buckled Cu layers.
    Notes: Einkristalle des neuen Oxidarsenats (Al0,5Ga0,5)CuOAsO4 (monoklin, P21/c, a = 734,3(2) pm, b = 1024,79(9) pm, c = 563,4(2) pm, β = 99,93(1)°, Z = 4) wurden durch Oxidation von Al/As/Cu/Ga-Legierungen im Sauerstoffstrom erhalten. Die Kristallstruktur wurde aus Vierkreisdiffraktometer-Daten bestimmt (w2R = 0,039 für 1211 F2-Werte und 76 Parameter). [Cu2O6]-Doppelquadrate sind in Schichten senkrecht zur a-Achse so angeordnet, daß für Kupfer eine [4 + 1]-Koordination durch Sauerstoffatome resultiert, die als Übergang von quadratisch-planarer zu quadratisch-pyramidaler Koordination interpretiert werden kann. In [100]-Richtung wechseln Schichten aus eckenverknüpften (Al/Ga)O4- und AsO4-Tetraedern mit gewellten Cu-Schichten ab.
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    URL: http://dx.doi.org/10.1002/zaac.19976231120
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  • 74
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    Darstellung und Struktur eines Ammoniumdiamidodioxophosphats(V), NH4PO2(NH2)2Professor Rudolf Hoppe zum 75. Geburtstag gewidmet (1997)
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 623 (1997), S. 1786-1790 
    Details
    ISSN: 0044-2313
    Keywords: Ammonium diamido dioxo phosphate(V) ; synthesis ; crystal structure ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Synthesis and Structure of an Ammonium Diamidodioxophosphate(V), NH4PO2(NH2)2The ammonolysis of P3N5 under ammonothermal conditions (T = 400°C, p(NH3) = 6 kbar, 14 d in autoclaves) in the presence of small definite amounts of water leads to the formation of NH4PO2(NH2)2. The structure was solved by single crystal X-ray methods.NH4PO2(NH2)2: P21/c (Nr. 14), a = 6.886(1) Å, b = 8.366(2) Å, c = 9.151(2) Å, β = 111.78(3)°, Z = 4, R1/wR2 = 0.026/0.072, Z(Fo2 〉 2σ(Fo2)) = 1183, N(variables) = 87. In NH4PO2(NH2)2 the anions [PO2(NH2)2]- are linked to chains by N—H … N and N—H … O bridge bonds. The ammonium ions are located between these chains and are donors for N—H … O bridge bonds which connect the chains three-dimensionally.
    Notes: Bei Ammonolysen von P3N5 unter ammonothermalen Bedingungen (T = 400°C und p(NH3) = 6 kbar 14 d in Autoklaven) führt eine geringe, definierte Menge Wasser zur Bildung von NH4PO2(NH2)2. Die Struktur wurde röntgenographisch am Einkristall bestimmt.NH4PO2(NH2)2: P21/c (Nr. 14), a = 6,886(1) Å, b = 8,366(2) Å, c = 9,151(2) Å, β = 111,78(3)°, Z = 4, R1/wR2 = 0,026/0,072, Z(Fo2 〉 2σ(Fo2)) = 1183, Z(Variable) = 87. In NH4PO2(NH2)2 sind Anionen [PO2(NH2)2]-, über N—H … N und N—H … O Brückenbindungen zu unendlichen Ketten verknüpft. Die Ammoniumionen liegen zwischen den Ketten und wirken als Donatoren für N—H … O Brückenbindungen, die die Ketten dreidimensional verknüpfen.
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    URL: http://dx.doi.org/10.1002/zaac.19976231121
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    Zur Kenntnis von cis-NatriumhyponitritProfessor Rudolf Hoppe zum 75. Geburtstag gewidmet (1997)
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 623 (1997), S. 1803-1809 
    Details
    ISSN: 0044-2313
    Keywords: Hyponitrites ; cis-Na2N2O2 ; preparation ; properties ; crystal structure ; vibrational spectra ; 15N-MAS-NMR spectra ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: To the Knowledge of cis-Sodium HyponitriteSurprisingly, cis-sodium hyponitrite can be prepared by reacting gaseous N2O and solid Na2O. For the first time, the structure of a simple salt of cis hyponitrous acid has been determinated unambigously. According to an abinitio structure determination based on powder data, cis-Na2N2O2 crystallizes monoclinic (P21/c, a = 5.107(1); b = 9.211(1); c = 6.159(1) Å; β = 97.91(1)°; Z = 4). Results of spectroscopic investigations (vibrational spectroscopy, 15N-MAS-NMR) agree with the symmetry of the cis-N2O22- anion as it has been proved by the crystal structure. Consider able differences regarding some chemical and physical properties have been observed for samples of cis-Na2N2O2 synthesized via different routes.
    Notes: Durch Gas-Festkörper-Reaktion von N2O und Na2O läßt sich überraschend cis-Natriumhyponitrit darstellen. Auf der Basis der so erhaltenen reinen, gut kristallisierten Präparate gelang erstmals die eindeutige strukturelle Charakterisierung eines einfachen Salzes der cis-Hyposalpetrigen Säure. Gemäß der voraussetzungsfrei anhand von Pulverdaten durchgeführten Strukturbestimmung kristallisiert cis-Na2N2O2 monoklin (P21/c, a = 5,107(1); b = 9,211(1); c = 6,159(1) Å; β = 97,91(1)°; Z = 4). Die Resultate der spektroskopischen Untersuchungen (Schwingungsspektroskopie, 15N-MAS-NMR) stehen im Einklang mit der durch die Kristallstrukturanalyse ermittelten Symmetrie des cis-N2O22--Anions. Präparate von cis-Na2N2O2, die auf verschiedenen Synthesewegen dargestellt wurden, zeigen auffallende Unterschiede in einigen chemischen und physikalischen Eigenschaften.
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  • 76
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    Tetraphenylphosphonium-tetradecachlorotetraarsenat(III), (PPh4)2As4Cl14 (1997)
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 623 (1997), S. 1033-1034 
    Details
    ISSN: 0044-2313
    Keywords: Tetraphenylphosphonium-tetradecachlorotetraarsenate(III) ; crystal structure ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Tetraphenylphosphonium Tetradecachlorotetraarsenate(III), (PPh4)2As4Cl14The title compound was obtained by reaction of As4S4, PPh4Cl and chlorine in dichloromethane. According to its X-ray crystal structure analysis, the As4Cl142- ion can be described as an association product of two AsCl4- units and two AsCl3 molecules. The As atoms and ten Cl atoms are approximately in a plane, the remaining four Cl atoms alternately take positions above and below this plane. The As atoms have distorted ψ octahedral coordination.
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    URL: http://dx.doi.org/10.1002/zaac.19976230702
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    The Synthesis and Crystal Structure of Hg3TeI4Professor Rudolf Hoppe zum 75. Geburtstag gewidmet (1997)
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 623 (1997), S. 1843-1846 
    Details
    ISSN: 0044-2313
    Keywords: Mercury iodide telluride ; crystal structure ; ccp anion packing with partially filled tetrahedral holes ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Synthese und Kristallstruktur von Hg3TeI4Die Struktur von kubischem Hg3TeI4 wurde aus Pulverdaten bestimmt. Auf die vier Positionen der kubisch-dichtesten Packung der Anionen sind 0.8 Te-Atome und 3.2 I-Atome statistisch verteilt. Die beiden Sorten von Tetraederlücken sind zu 2/4 bzw. 0.4/4 von Hg-Atomen besetzt. Mit einem Ordnungsmodell niederer Symmetrie kann die stöchiometrische Zusammensetzung erklärt und eine homogene Ladungsverteilung erreicht werden. Das Ordnungsmodell enthält Regionen der Struktur von rotem HgI2, die durch Fragmente vom SiS2-Typ miteinander verbunden sind.
    Notes: The structure of cubic Hg3TeI4 was determined from powder data. The four positions of the cubic closestpacking of the anions are statistically occupied by 0.8 Te-atoms and 3.2 I-atoms. The two types of tetrahedral holes are occupied to the extent of 2/4 and 0.4/4, respectively, by Hg-atoms. With an ordered model of lower symmetry, the stoichiometric composition can be explained and a homogeneous charge distribution can be achieved. The ordered model contains regions of the structure of red HgI2, which are connected by fragments of the SiS2-type.
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    URL: http://dx.doi.org/10.1002/zaac.19976231129
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    Crystal Structure of Mixed Crystals of the Tetra(n-butyl)ammonium Salts of cis-Tetrafluorophthalocyaninato(2-)tantalate(V) and cis-Trifluorophthalocyaninato(2-)tantalate(IV) (1997)
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 623 (1997), S. 1853-1854 
    Details
    ISSN: 0044-2313
    Keywords: Phthalocyaninates ; tantalum compounds ; crystal structure ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: cis-Trichlorophthalocyaninato(2-)tantalate(V) reacts with excess tetra(n-butyl)ammonium fluoride trihydrate yielding mixed crystals of the tetra(n-butyl)ammonium salts of cis-tetrafluorophthalocyaninato(2-)tantalate(V) and cis-trifluorophthalocyaninato(2-)tantalate(IV) in the ratio five to four. These crystallize in the monoclinic space group P21/ n with cell parameters: a = 13.368(2) Å, b = 13.787(2) Å, c = 23.069(3) Å, β = 93.35(1)°, Z = 4. Tav is octacoordinated with four F atoms and four Niso atoms in an antiprismatic cis-arrangement. The Tav-F distance varies from 1.919(7) to 1.966(4) Å. TaIV is heptacoordinated with three F atoms in a cis-arrangement. The TaIV-F distance varies from 1.74(1) to 1.966(4) Å. The Ta atom is located out of the centre of the N4 plane towards the F atoms by 1.234(3) Å. The Ta-N distances range from 2.261(6) to 2.310(6) Å.
    Additional Material: 1 Ill.
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    URL: http://dx.doi.org/10.1002/zaac.19976231204
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    Metallkomplexe mit biologisch wichtigen Liganden. XCV. η5- Pentamethylcyclopentadienyl-Rhodium-, -Iridium-, (η6-Benzol)-Ruthenium- und Phosphan-Palladium-Komplexe von Prolinmethylester und ProlinamidProfessor Anton Meller zum 65. Geburtstag gewidmet (1997)
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 623 (1997), S. 1903-1911 
    Details
    ISSN: 0044-2313
    Keywords: Rhodium ; ruthenium ; iridium ; palladium ; proline ; amide complexes ; proline methylester complexes ; crystal structure ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Metal Complexes of Biologically Important Ligands. XCV. η5-Pentamethylcyclopentadienyl Rhodium, Iridium, η6- Benzene Ruthenium, and Phosphine Palladium Complexes of Proline Methylester and Proline AmideProline methylester (L1) and proline amide (L2) give with the chloro bridged complexes [(η5 -C5Me5)MCl2]2 (M = Rh, Ir), [(η6 -benzene)RuCl2]2 and [Et3PPdCl2]2 N and N,O coordinated compounds: (η5 -C5Me5)M(Cl2)L1 (1, 2 M = Rh, Ir), [(η5-C5Me5) Rh(Cl)(L2)]+Cl- (5), [(η6- C6Me6) Ru(Cl)(L2)]+Cl- (6), [(η6-p-cymene)Ru(Cl)(L2)]+Cl- (7), [(eta;5-C5Me5)M(Cl)(L2-H+)] (9, 10 M = Rh, Ir), (Et3P)Pd(Cl)2L1 (3), and [(Et3P)Pd(Cl)(L2)]+Cl- (8). The NMR spectra indicate that for 5 and 6 only one diastereoisomer is formed. The complexes 1, 2, 3 and 5 were characterized by X-ray diffraction.
    Notes: Prolinmethylester (L1) und Prolinamid (L2) bilden mit den chlorverbrückten Komplexen [(η5-C5Me5)MCl2]2 (M = Rh, Ir), [(η6-p-Cymol)RuCl2]2 und [Et3PPdCl2]2 Verbindungen mit N- und N,O-Koordination: (η5-C5Me5)M(Cl2)L1 (1, 2 M = Rh, Ir), [(η5-C5Me5) Rh(Cl) (L2)]+Cl- (5), [(η6- C6Me6)Ru(Cl) (L2)]+Cl- (6), [(η6-p- Cymol)Ru(Cl)(L2)]+Cl- (7), [(η5- C5Me5)M(Cl)(L2-H+)] (9, 10 M = Rh, Ir), (Et3P)Pd(Cl)2L1 (3) und [(Et3P)Pd(Cl)(L2)]+Cl- (8). Die NMR Spektren weisen darauf hin, daß von 5 und 6 jeweils nur ein Diastereoisomeres entsteht. Die Komplexe 1, 2, 3 und 5 wurden durch Röntgenstrukturanalyse charakterisiert.
    Additional Material: 4 Ill.
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    URL: http://dx.doi.org/10.1002/zaac.19976231214
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  • 80
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    Thia- und Selena-arachno-undecaboran 6,7-μ-(CH3E)B10H13 Kristallstruktur von arachno-6,7-μ-(CH3Se)B10H13 Theoretische Untersuchungen der Molekülstrukturen und 11B-NMR-Verschiebungen von arachno-6,7-μ-(CH3E)B10H13 (1997)
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 623 (1997), S. 1157-1162 
    Details
    ISSN: 0044-2313
    Keywords: Thia- and selena-arachno-undecaborane ; preparation ; spectroscopy ; ab initio/IGLO ; GIAO/NMR method ; crystal structure ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Thia- and Selena-arachno-undecaborane 6,7-μ-(CH3E)B10H13. Crystal Structure of arachno-6,7-μ-(CH3Se)B10H13. Theoretical Investigations of the Molecular Structures and 11B NMR Shifts of arachno-6,7-μ-(CH3E)B10H13The reaction of B10H14 with (CH3)2S yields with loss of H2 the base adduct 6,9-[(CH3)2S]2B10H12. Although an analogous reaction between B10H14 with disulfanes or diselenanes was expected to produce 6,9 bridged dichalcogen derivatives, (CH3)2S2 failed to react even under reflux conditions. Trisulfane (CH3)2S3 does react, but the pathway is different and leads to (CH3S)B10H13 2 without loss of H2. Unlike of (CH3)2S2, (CH3)2Se2 yields (CH3Se)B10H13, 3. Both 2 and 3 are formed by substitution of a bridging hydrogen and could be obtained in pure form and characterized 11B NMR spectroscopically. A single crystal X-ray structure analysis also was performed on 3 (space group P21/c). The molecular structures of 2 and 3 were optimized at the MP2 level and 11B NMR shifts were computed at the IGLO-SCF, GIAO-SCF and GIAO-B3LYP levels of theory.
    Notes: Bei der Reaktion zwischen B10H14 und (CH3)2S erfolgt unter H2-Abspaltung eine zweifache Adduktbildung, die zu 6,9-[(CH3)2S]2B10H12 führt. Die analoge Umsetzung zwischen B10H14 mit Disulfanen bzw. Diselenanen führte jedoch nicht zu den 6,9-Dichalkogen-verbrückten Derivaten. Bei der Umsetzung mit (CH3)2S2 findet selbst unter Refluxbedingungen keine Reaktion statt, wohl aber mit dem Trisulfan (CH3)2S3. Die Reaktion verläuft aber nicht unter H2-Abspaltung. Vielmehr wird dabei ein Brücken-H-Atom durch eine CH3S-Gruppe substituiert unter Bildung von (CH3S)B10H13 2. Im Gegensatz zu (CH3)2S2 findet aber mit (CH3)2Se2 ebenfalls eine Brücken-H-Substitution statt, wobei (CH3Se)B10H13 3 gebildet wird. 2 und 3 konnten in reiner Form isoliert und 11B-NMR-spektroskopisch charakterisiert werden. Von 3 wurde eine Röntgenstrukturanalyse durchgeführt (Raumgruppe P21/c) und von 2 und 3 die Molekülstrukturen auf MP2-Niveau optimiert sowie 11B-NMR- Verschiebungen mit IGLO-SCF, GIAO-SCF und GIAO-B3LYP berechnet.
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    URL: http://dx.doi.org/10.1002/zaac.19976230725
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  • 81
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    Synthese und Kristallstruktur von Cs3Y7Se12 (1997)
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 623 (1997), S. 1501-1502 
    Details
    ISSN: 0044-2313
    Keywords: Cesium yttrium selenide ; Cs3Y7Se12 ; rare-earth compounds ; preparation ; crystal structure ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Synthesis and Crystal Structure of Cs3Y7Se12The oxidation of yttrium metal with selenium in the presence of CsCl (7 d, 700°C, evacuated silicia tubes) results in the formation of pale yellow, lath-shaped single crystals of Cs3Y7Se12. The crystal structure (orthorhombic, Pnnm, Z = 2, a = 1272.8(3), b = 2627.7(5), c = 413.32(8) pm) consists of edge- and vertex-connected [YSe6] octahedra forming a rocksalt-related network [Y7Se12]3-. One-dimensional infinite channels along [001], apt to take up extra cations, provide coordination numbers of 6 and 7 + 1, respectively, for two crystallographically different Cs+.
    Additional Material: 2 Ill.
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    URL: http://dx.doi.org/10.1002/zaac.19976231005
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  • 82
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    Tetraammin-Lithium-Kationen zur Stabilisierung phenylsubstituierter Zintl-Anionen: Die Verbindung [Li(NH3)4]2[Sn2Ph4] (1997)
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 623 (1997), S. 1503-1505 
    Details
    ISSN: 0044-2313
    Keywords: Ditetraammine lithium tetraphenyldistannide ; synthesis ; single-crystals ; crystal structure ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Tetraammine Lithium Cations Stabilizing Phenylsubstituted Zintl-Anions: The Compound [Li(NH3)4]2[Sn2Ph4]Ruby-red, brittle single crystals of [Li(NH3)4]2[Sn2Ph4] were synthesized by the reaction of diphenyltin dichloride and metallic lithium in liquid ammonia at -35°C. The structure was determined from X-ray singlecrystal diffractometer data: Space group, P1, Z = 1, a = 9.462(2) Å, b = 9.727(2) Å, c = 11.232(2) Å, α = 66.22(3)°, β = 85.78(3)°, γ = 61.83(3)°, R1 (F02 ≥ 4σF02) = 5.13%, wR2 (F02 ≥ 4σF02) = 10.5%, N(F02 ≥ 4σF02) = 779, N(Var.) = 163.The compound contains to Sb2Ph4 isosteric centres [Sn2Ph4]2- as anions which are connected to rods by lithium cations in distorted tetrahedral coordination by ammonia. These rods are arranged parallel to one another in the b,c-plane, but stacked along [100].
    Additional Material: 2 Ill.
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    URL: http://dx.doi.org/10.1002/zaac.19976231006
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  • 83
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    Bi13Pt3I7: Ein Subiodid mit einer pseudosymmetrischen Schichtstruktur (1997)
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 623 (1997), S. 1535-1541 
    Details
    ISSN: 0044-2313
    Keywords: Bismuth platinum iodide ; subhalide ; crystal structure ; pseudo-symmetry ; stacking faults ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Bi13Pt3I7: A Subiodide with a Pseudo-Symmetric Layer StructureThe reaction of PtI2 with Bi and BiI at 630 K yields black, lustrous, air insensitive crystals of the subiodide Bi13Pt3I7. The layered crystal structure (triclinic, C1, a = 1581.0(2) pm, b = 912.6(1) pm, c = 2149.6(6) pm, α = 90.03(2)°, β = 96.96(2)°, γ = 90.11(1)°, V = 3078.6 · 106 pm3) contains edge-sharing [PtBi8/2] cubes, which form nets of Kagomé type. Iodine atoms fill the hexagonal-prismatic voids therein. These ∞2[(PtBi8/2)3I] layers are alternately separated by layers of iodine atoms or ∞1[BiI4-] zigzag-chains. The marked pseudo-symmetry of the structure favours stacking faults, which cause streaks of diffuse scattering in the diffraction pattern.
    Notes: Aus der Reaktion von PtI2 mit Bi und BiI bei 630 K erhält man schwarze, metallisch glänzende und luftbeständige Kristalle des Subiodids Bi13Pt3I7. In der schichtartig aufgebauten Kristallstruktur (triklin, C1, a = 1581,0(2) pm, b = 912,6(1) pm, c = 2149,6(6) pm, α = 90,03(2)°, β = 96,96(2)°, γ = 90,11(1)°, V = 3078,6 · 106 pm3) liegen Kagomé-Netze aus kantenverknüpften [PtBi8/2]-Würfeln vor, deren hexagonal-prismatische Lücken mit Iodatomen gefüllt sind. Diese ∞2[(PtBi8/2)3I]-Schichten sind abwechselnd durch eine Lage von Iodatomen oder eine Schicht aus parallel angeordneten ∞1[BiI4-]-Zickzackketten getrennt. Die in der Struktur stark ausgeprägte Pseudosymmetrie begünstigt Stapelfehler, welche sich auch in diffusen Streifen im Beugungsbild äußern.
    Additional Material: 6 Ill.
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    URL: http://dx.doi.org/10.1002/zaac.19976231011
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    Reaktionen von Lanthanoidhalogeniden mit Alkalibenzylverbindungen. Darstellung und Kristallstrukturen von [(tmeda)(C6H5CH2)2Y(μ-Br)2Li(tmeda)], [(tmeda)2SmBr(μ-Br)2Li(tmeda)] und [(dme)2SmBr(μ-Br)]2 (1997)
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 623 (1997), S. 1542-1546 
    Details
    ISSN: 0044-2313
    Keywords: Yttrium(III) ; samarium(II) ; benzyl complexes ; crystal structure ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Reactions of Lanthanide Halides with Alkalibenzyl Compounds. Synthesis and Crystal Structures of [(tmeda)(C6H5CH2)2Y(μ-Br)2Li(tmeda)], [(tmeda)2SmBr(μ-Br)2Li(tmeda)] and [(dme)2SmBr(μ-Br)]2Alkali-benzyl compounds react via a metathesis reaction with lanthanide halides to benzyl complexes of the rare earths. Reaction of [(C6H5CH2)Li(tmeda)] with YBr3 leads to the complex [(tmeda)Y(C6H5CH2)2 (μ-Br)2Li(tmeda)] 1, in which Yttrium and lithium are linked via two bromide bridges. However, the reaction of [(C6H5CH2)Li(tmeda)] with SmBr3 in toluene/tmeda leads under reduction of the Sm ion to the compound [(tmeda)2SmBr(μ-Br)2Li(tmeda)] 2. 2 reacts with DME to yield the dimeric compound [(dme)2SmBr(μ-Br)]2 3. The structures of 1-3 were determined by X-ray single crystal structure analysis:1:Space group P21/c, Z = 4, a = 829.5(6) pm, b = 1477.9(11) pm, c = 2575.0(10) pm, β = 92.03(6)°,2:Space group P21, Z = 2, a = 954,7(3) pm, b = 1338.5(6) pm, c = 1244.9(5) pm, β = 107.51(3)°,3:Space group P1, Z = 1, a = 797.2(7) pm, b = 818.3(7) pm, c = 1169.7(8) pm, α = 100.96(6)°, β = 92.03(6)°, γ = 91.75(7)°.
    Notes: Alkalibenzylverbindungen reagieren mit Lanthanoidhalogeniden unter Salzabspaltung zu Benzylkomplexen der Seltenen Erden. [(C6H5CH2)Li(tmeda)] bildet mit YBr3 den Komplex [(tmeda)(C6H5CH2)2Y(μ-Br)2Li(tmeda)] 1, in dem das Yttriumion mit Lithium über zwei Bromo-Brücken verknüpft ist. Bei der Reaktion von [(C6H5CH2)Li(tmeda)] mit SmBr3 in Toluol/TMEDA erfolgt hingegen unter Reduktion die Bildung von [(tmeda)2SmBr(μ-Br)2Li(tmeda)] 2. Diese Verbindung bildet mit DME den zweikernigen Komplex [(dme)2SmBr(μ-Br)]2 3. Die Strukturen von 1, 2 und 3 wurden durch Einkristallstrukturanalyse geklärt:1:Raumgruppe P21/c, Z = 4, a = 829,5(6) pm, b = 1477,9(11) pm, c = 2575,0(10) pm, β = 92,03(6)°,2:Raumgruppe P21, Z = 2, a = 954,7(3) pm, b = 1338,5(6) pm, c = 1244,9(5) pm, β = 107,51(3)°,3:Raumgruppe P1, Z = 1, a = 797,2(7) pm, b = 818,3(7) pm, c = 1169,7(8) pm, α = 100,96(6)°, β = 92,03(6)°, γ = 91,75(7)°.
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    Two New Modifications of [P(C6H5)4]2[Cu2I4] (1997)
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 623 (1997), S. 1555-1560 
    Details
    ISSN: 0044-2313
    Keywords: Iodocuprate(I) ; [Cu2I4]2- ; tetraphenylphosphonium ; crystal structure ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Zwei neue Modifikationen von [P(C6H5)4]2[Cu2I4]Bei der Reaktion von granuliertem Kupfer mit Iod und [P(C6H5)4]I in trockenem Aceton unter Stickstoffatmosphäre wurden Einkristalle von zwei neuen Modifikationen von [P(C6H5)4]2[Cu2I4] erhalten. Sie kristallisieren monoklin, Raumgruppe P21/n (Nr. 14), a = 11.550(6), b = 7.236 (2), c = 27.232 (13) Å, β = 98.13(3)°, V = 2253(2) Å3 und Z = 2 ([P(C6H5)4]2[Cu2I4]-C) bzw. Raumgruppe Cc (Nr. 9), a = 17.133(5), b = 15.941(5), c = 18.762(6) Å, β = 114.02(1)°, V = 4681(3) Å3 und Z = 4 ([P(C6H5)4]2[Cu2I4] -D). In diesen Verbindungen liegen dimere di-μ-iodo-diiodocuprat(I)-Einheiten vor, die planar (C) bzw. gewinkelt (D) sind.
    Notes: Single crystals of two new modifications of [P(C6H5)4]2[Cu2I4] were obtained by reaction of granulated copper with iodine and [P(C6H5)4]I in dry acetone under nitrogen atmosphere. They crystallise monoclinically, space group P21/n (No. 14), a = 11.550(6), b = 7.236(2), c = 27.232(13) Å, β = 98.13(3)°, V = 2253(2) Å3, and Z = 2 ([P(C6H5)4]2[Cu2I4]-C), and space group Cc (No. 9), a = 17.133(5), b = 15.941(5), c = 18.762 (6) Å, β = 114.02(1)°, V = 4681(3) Å3, and Z = 4 ([P(C6H5)4]2[Cu2I4]-D), respectively. In these compounds the [CuI2]- anions form dimers di-μ-iodo-diiodocuprate(I), which are either planar (C) or folded (D).
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    URL: http://dx.doi.org/10.1002/zaac.19976231014
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    Die isotypen Verbindungen BaRh2Si2, BaIr2Si2 und BaPt2Ga2 - eine monokline Verzerrungsvariante der CaRh2B2-StrukturProfessor Welf Bronger zum 65. Geburtstag gewidmet (1997)
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 623 (1997), S. 1561-1566 
    Details
    ISSN: 0044-2313
    Keywords: Barium ; platinum ; silicide ; gallium ; crystal structure ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: The Isotypic Compounds BaRh2Si2, BaIr2Si2, and BaPt2Ga2 - a Monoclinic Distortion Variant of the CaRh2B2 StructureThe new compounds BaRh2Si2 (monoclinic, P21/c, a = 792.6(1) pm, b = 664.5(7) pm, c = 767.9(4) pm, β = 91.2(1)°, Z = 4, 2867 reflexions, 47 parameters, R = 0.024), BaIr2Si2 (monoclinic, P21/c, a = 792.47(6) pm, b = 664.28(6) pm, c = 772.22(6) pm, β = 92.181(7)°, Z = 4, 1939 reflexions, 47 parameters, R = 0.037) and BaPt2Ga2 (monoclinic, P21/c, a = 850.4(1) pm, b = 647.3(1) pm, c = 819.8(1) pm, β = 95.97(1)°, Z = 4, 1506 reflexions, 47 parameters, R = 0.038) were prepared by reaction of the elements. Their structures were determined from single crystal data. The compounds crystallize isotypically with a distortion variant of the CaRh2B2 type of structure.
    Notes: Die neuen Verbindungen BaRh2Si2 (monoklin, P21/c, a = 792,6(1) pm, b = 664,5(7) pm, c = 767,9(4) pm, β = 91,2(1)°, Z = 4, 2867 Reflexe, 47 Parameter, R = 0,024), BaIr2Si2 (monoklin, P21/c, a = 792,47(6) pm, b = 664,28(6) pm, c = 772,22(6)pm, β = 92,181(7)°, Z = 4, 1939 Reflexe, 47 Parameter, R = 0,037) und BaPt2Ga2 (monoklin, P21/c, a = 850,4(1) pm, b = 647,3(1) pm, c = 819,8(1) pm, β = 95,97(1)°, Z = 4, 1506 Reflexe, 47 Parameter, R = 0,038) wurden durch Reaktion der Elemente dargestellt und ihre Strukturen mit Einkristalldaten bestimmt. Die Verbindungen kristallisieren isotyp in einer Verzerrungsvariante des CaRh2B2-Typs.
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    Bi4RuBr2 und Bi4RuI2: Zwei Varianten einer Kolumnarstruktur mit flächenverknüpften quadratischen [RuBi8/2]-Antiprismen (1997)
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 623 (1997), S. 1583-1590 
    Details
    ISSN: 0044-2313
    Keywords: Bismuth ruthenium bromide ; bismuth ruthenium iodide ; subhalide ; crystal structure ; chemical bonding ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Bi4RuBr2 and Bi4RuI2: Two Varieties of a Column Structure with Face-Sharing [RuBi8/2] Square AntiprismsReaction of the elements yields black, lustrous, air insensitive crystals of the subhalides Bi4RuI2 (tetragonal, I4/m, a = 1183.9(2) pm, c = 669.7(2) pm, V = 938.66 · 106 pm3) and Bi4RuBr2 (monoclinic, I112/m, a = 1211.9(2) pm, b = 1072.6(2) pm, c = 663.9(2) pm, γ = 91.63(1)°, V = 862.64 · 106 pm3). The structures of the homöotypic compounds contain ∞1[RuBi8/2] strands of face-sharing square antiprisms. Halogen atoms lie above the edges of alternate Bi4 squares. Thereby chemical bonding differs significantly within the two types of Bi4 squares. Though the Ru atoms on the central axis of the strand of antiprisms form pairs, extended Hückel calculations give no evidence of Ru—Ru bonds.
    Notes: Durch Umsetzung der Elemente werden schwarze, metallisch glänzende, luftstabile Kristalle der Subhalogenide Bi4RuI2 (tetragonal, I4/m, a = 1183,9(2) pm, c = 669,7(2) pm, V = 938,66 · 106 pm3) und Bi4RuBr2 (monoklin, I112/m,a = 1211,9(2) pm, b = 1072,6(2) pm, c = 663,9(2) pm, γ = 91,63(1)°, V = 862,64 · 106 pm3) erhalten. In den Strukturen der homöotypen Verbindungen liegen ∞1[RuBi8/2]-Stränge aus flächenverknüpften, quadratischen Antiprismen vor. Die Kanten jedes zweiten Bi4-Quadrates in einer Säule sind mit Halogenatomen überbrückt. Dadurch unterscheiden sich die Bindungsverhältnisse in den beiden Sorten von Bi4-Quadraten wesentlich. Die Ru-Atome auf der zentralen Achse des Antiprismenstranges bilden Paare, doch liegen nach Extended-Hückel-Rechnungen keine Ru—Ru-Bindungen vor.
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    URL: http://dx.doi.org/10.1002/zaac.19976231018
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    Bi24Ru3Br20: Ein pseudo-tetragonales Subbromid mit [RuBi6Br12]-Clustern und [Ru2Bi17Br4]-Gruppen (1997)
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 623 (1997), S. 1591-1598 
    Details
    ISSN: 0044-2313
    Keywords: Bismuth ruthenium bromide ; subhalide ; cluster ; crystal structure ; pseudo-symmetry ; twinning ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Bi24Ru3Br20: A Pseudo-Tetragonal Structure with [RuBi6Br12] Clusters and [Ru2Bi17Br4] GroupsThe melting reaction of Ru with Bi and BiBr yields black, lustrous, air insensitive crystals of the subbromide Bi24Ru3Br20. The orthorhombic crystal structure (space group Pc21n, a = b = 1377.8(1) pm, c = 3222.3(4) pm, V = 6117.0 · 106 pm3) deceives pseudo-symmetry with respect to the tetragonal space group P4/ncc leading to multiply twinned crystals. The structure can formally be subdivided in [RuBi6Br12] clusters, [Ru2Bi17Br4] stacks, and [BiBr4] groups.
    Notes: Aus der Schmelzreaktion von Ru mit Bi und BiBr3 werden schwarze, metallisch glänzende und luftbeständige Kristalle des Subbromids Bi24Ru3Br20 erhalten. Die orthorhombische Kristallstruktur (Raumgruppe Pc21n, a = b = 1377,8(1) pm, c = 3222,3(4) pm, V = 6117,0 · 106 pm3) täuscht die Pseudosymmetrie der tetragonalen Raumgruppe P4/ncc vor, was zu mehrfach verzwillingten Kristallen führt. Die Struktur läßt sich formal in [RuBi6Br12]-Cluster, [Ru2Bi17Br4]-Stapel und [BiBr4]-Gruppen aufgliedern.
    Additional Material: 7 Ill.
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    URL: http://dx.doi.org/10.1002/zaac.19976231019
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  • 89
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    Mg2PN3 und Ca2PN3 - Phosphor(V)-nitride mit eindimensional unendlichen Ketten eckenverknüpfter PN4-Tetraeder (1997)
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 623 (1997), S. 69-74 
    Details
    ISSN: 0044-2313
    Keywords: Alkaline earth metals ; phosphorus nitrides ; synthesis ; crystal structure ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Mg2PN3 and Ca2PN3 - Phosphorus(V) Nitrides with Infinite Chains of Corner Sharing PN4 TetrahedraMg2PN3 and Ca2PN3 have been synthesized by the reaction of the respective metal nitrides with P3N5 at 800°C. The products have been obtained as fine crystalline powders. The crystal structures have been determined on the basic of powder diffraction data. Mg2PN3 (Cmc21, a = 972,64(8), b = 564,30(5), c = 473,02(2) pm, Z = 4) and Ca2PN3 (Cmca, a = 519,14(4), b = 1031,63(8), c = 1128,8(1) pm, Z = 8) contain Mg2+ and Ca2+ ions, respectively, as well as PN3 Zweier chains of corner sharing PN4 tetrahedra. A significant difference of the stretching factor of the PN3 chains has been observed in Mg2PN3 (fs = 0,88) and Ca2PN3 (fs = 1,0).
    Notes: Mg2PN3 und Ca2PN3 wurden durch Reaktion der jeweiligen Metallnitride mit P3N5 bei 800°C als feinkristalline Pulver erhalten. Ihre Kristallstrukturen wurden aus Pulverdaten bestimmt und verfeinert. Mg2PN3 (Cmc21, a = 972,64(8), b = 564,30(5), c = 473,02(2) pm, Z = 4) und Ca2PN3 (Cmca, a = 519,14(4), b = 1031,63(8), c = 1128,8(1) pm, Z = 8) enthalten im Festkörper Mg2+- bzw. Ca2+-Ionen und PN3-Zweierketten eckenverknüpfter PN4-Tetraeder. Es ergeben sich deutlich unterschiedliche Streckungsfaktoren der PN3-Ketten von fs = 0,88 (Mg2PN3) und fs = 1,0 (Ca2PN3).
    Additional Material: 6 Ill.
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    URL: http://dx.doi.org/10.1002/zaac.19976230112
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  • 90
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    Crystal Structures of trans-[Ta6Cl12(OH)4(H2O)2] · 10 H2O and (NMe4)2[Ta6Cl12(OH)6] · 21 H2O (1997)
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 623 (1997), S. 59-64 
    Details
    ISSN: 0044-2313
    Keywords: Hexanuclear tantalum chloro cluster ; tantalum cluster hydroxide ; mixed coordinated clusters ; intercluster bridges ; crystal structure ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Die Kristallstrukturen von trans-[Ta6Cl12(OH)4(H2O)2] · 10 H2O und (NMe4)2[Ta6Cl12(OH)6] · 21 H2ODie Verbindungen trans-[Ta6Cl12(OH)4(H20)2] · 10H2O 1, (NMe4)2[Ta6Cl12(OH)6] · 21H2O 2 und Na2[Ta6Cll2(OH)6] · 16H2O 3 enthalten oktaedrische Tantalchlorocluster und können aus alkalischer Lösung (Methanol/Wasser) erhalten werden. Die Strukturen von 1 und 2 werden beschrieben. Kristallographische Daten s. Abstract.Die Verbindung 1 enthält neutrale, gemischt-koordinierte trans-[Ta6Cl12(OH)4(H2O)2]- Einheiten mit Ta—OH- und Ta—OH2Abständen von 210,4(5) und 214,5(5) pm. Ein koordiniertes Wassermolekül eines Clusters und eine OH Gruppe eines benachbarten Clusters bilden H3O2--Brücken mit einem O … H—O-Abstand von 253,7(7) pm zwischen den beiden Clustern aus. Die zwölf Ta—Cl-Abstände liegen zwischen 244,1(2) und 245,2(2) pm. Die Struktur von 2 ist aus [Ta6Cl12(OH)6]2--Anionen, NMe4+-Kationen und über H-Brücken gebundenen Wassermolekülen aufgebaut.
    Notes: The compounds trans-[Ta6Cl12(OH)4 (H2O)2] · 10 H2O 1, (NMe4)2[Ta6Cl12(OH)6] · 21 H2O 2 and Na2[Ta6Cl12(OH)6] · 16 H2O 3 containing octahedral tantalum chloro clusters were isolated from alkaline methanol/water solutions of [Ta6Cl12]4+. Crystal structures were solved for 1 and 2. Crystal data: 1, monoclinic, space group P21/c (No. 14), a = 938.5(2) pm, b = 1220.3(2) pm, c = 1391.7(4) pm, β = 103.87(2)°, V = 1547.5(6) × 106 pm3, Z = 2; 2, rhombohedral, space group R3 (No. 148), a = 1201.4(2) pm, c = 3110.8(6) pm, V = 3888.5(12) × 106 pm3, Z = 3; 3, cubic F lattice, a = 1451(2) pm, V = 3055(13) × 106 pm3, Z = 4.The cluster in 1 contains the neutral, mixed-coordinated trans-[Ta6Cl12(OH)4 (H2O)2] cluster with Ta—OH and Ta—OH2 distances of 210.4(5) pm and 214.5(5) pm, respectively. One coordinated H2O molecule from one cluster and a coordinated OH- group from a neighbouring cluster form H3O2- intercluster bridges with the O … H—O distance 253.7(7) pm. Twelve Ta—Cl (bridging) distances range from 244.1(2) to 245.2(2) pm. The structure of 2 is built of [Ta6Cl12(OH)6]2- anions, NMe4+ cations and water molecules, the latter linked to the anions by hydrogen bonds.
    Additional Material: 5 Ill.
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    URL: http://dx.doi.org/10.1002/zaac.19976230110
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  • 91
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    Darstellung und Kristallstruktur von [Tl2(PhN3C6H4CH2C6H4N3Ph)3], einem zweikernigen TlIII-Komplex mit einem neuen, überbrückenden Bistriazenido-Liganden (1997)
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 623 (1997), S. 65-68 
    Details
    ISSN: 0044-2313
    Keywords: Thallium(III) complex ; di(4,4′-phenyltriazenido)-phenylmethane ligand ; synthesis ; crystal structure ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Synthesis and Crystal Structure of [Tl2(PhN3C6H4CH2C6H4N3Ph)3], a Dinuclear TlIII Complex with a Novel, Bridging Bistriazenido LigandTris[di(4,4′-phenyltriazenido)phenylmethane]-dithallium(III) is formed by the reaction of TlNO3 with di(4,4′-phenyltriazeno)phenylmethane in the presence of NaOH and air in an ethanol/H2O mixture. The compound is obtained as red, needlelike crystals from THF-hexane. It crystallizes monoclinic, space group I 2/a (a = 1375.2(5) pm, b = 2615(2) pm, c = 1957.0(8) pm, β = 93.49(3)°) with four dinuclear complexes in the unit cell. Each complex contains three doubly deprotonated bistriazenido ions (PhN3C6H4CH2C6H4N3Ph)2- and two Tl3+ ions. The Tl ions are each coordinated by three chelating triazenido groups resulting in a trigonal prismatic coordination of six N atoms. The Tl-N distances vary between 227 and 239 pm, all N-N distance of the triazenido groups are equal within standard deviations with a mean of 130 pm.
    Notes: Tris[di(4,4′-phenyltriazenido)phenylmethan]-di-thallium(III) entsteht durch Reaktion von TlNO3 mit Di(4,4′-phenyltriazeno)phenylmethan in Gegenwart von NaOH und Luft in einem Ethanol/H2O-Gemisch. Die Verbindung kann in Form roter, nudelförmiger Kristalle aus einem THF/Hexan-Gemisch erhalten werden. Sie kristallisiert monoklin in der Raumgruppe I 2/a mit den Gitterkonstanten a = 1375,2(5) pm, b = 2615(2) pm, c = 1957,0(8) pm, β = 93,49(3)° mit vier zweikernigen Komplexen in der Elementarzelle, von denen jeder aus drei doppelt deprotonierten Bistriazenido-Ionen (PhN3C6H4CH2C6H4N3Ph)2- und zwei Tl3+-Ionen aufgebaut ist. Die Tl-Ionen sind jeweils von drei Triazenidogruppen chelatförmig koordiniert, wodurch für die Kationen ein trigonal prismatisches Koordinationspolyeder aus sechs N-Atomen resultiert. Die Tl-N-Abstände variieren zwischen 227 und 239 pm, alle N-N-Abstände in den Triazenidogruppen sind innerhalb der Standardabweichungen gleich und betrugen im Mittel 130 pm.
    Additional Material: 1 Ill.
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    URL: http://dx.doi.org/10.1002/zaac.19976230111
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  • 92
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    Derivate des Imidazols. XXII. Imidazoliniminato-Komplexe des Titans. Synthese und Kristallstrukturen von [(ImN)TiCl3]2 und [(ImN)TiCl3 · 2 MeCN] (ImN = 1,3-Dimethylimidazolin-2-imino)Professor Joachim Strähle zum 60. Geburtstag gewidmet (1997)
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 623 (1997), S. 769-774 
    Details
    ISSN: 0044-2313
    Keywords: Titanium complexes ; imidazolinimiato complexes ; crystal structure ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Imidazole Derivatives. XXII. Imidazoliniminato Complexes of Titanium. Syntheses and X-Ray Structures of [ImNTiCl3]2 and [ImNTiCl3 · 2 MeCN] (ImN = 1,3-Imidazolin-2-imino)1,3-Dimethyl-2-trimethylsilyliminoimidazoline(ImNSiMe3, 7) reacts with TiCl4 in n-pentane to give the dinuclear complex [(ImN)TiCl3]2 (8) which is transferred into the mononuclear compound (ImN)TiCl3 · 2 MeCN (9) on treatment with acetonitrile. The X-ray structure analyses demonstrate the strong donor ability of the imidazoliniminato substituent both in the terminal and bridging coordination mode similar to that of the phosphaniminato group R3PN.
    Notes: 1,3-Dimethyl-2trimethylsilyliminoimidazolin(ImNSiMe3, 7) reagiert mit TiCl4 in n-Pentan zum Zweikernkomplex[(ImN)TiCl3]2 (8), der durch Acetonitril in die einkernige Verbindung [(ImN)TiCl3 · 2 MeCN] (9) überführt wird. Die Kristallstrukturanalyse zeigt die starken Donoreigenschaften der Imidazoliniminato-Gruppe ImN in verbrückender wie endständiger Koordination vergleichbar der des Phosphaniminato-Liganden R3PN.
    Additional Material: 2 Ill.
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    URL: http://dx.doi.org/10.1002/zaac.199762301121
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  • 93
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    Synthese und Eigenschaften von Eisen(II)-Komplexen mit vier- und fünfzähnigen N,S-Chelatliganden. Kristallstruktur von [Fe(GBMA)py] · py (GBMA2- = Glyoxal-bis-(2-mercaptoanil)) (1997)
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 623 (1997), S. 1644-1650 
    Details
    ISSN: 0044-2313
    Keywords: Iron(II) complexes ; Schiff's base ligands ; crystal structure ; magnetic properties ; Mössbauer spectra ; electrochemistry ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Synthesis and Properties of Iron(II) Complexes with tetra- and pentadentate N,S-Chelate Ligands. Crystal Structure of [Fe(GBMA)py] · py (GBMA2- = Glyoxal bis-(2-mercaptoanil))The complexes glyoxal-bis-(2-mercaptoanil)iron(II) [Fe(GBMA)], diacetyl-bis-(2-mercaptoanil)iron(II), [Fe(DBMA)] and o-phthalaldehyde-bis-(2-mercaptoanil)iron(II) [Fe(PhBMA)] have been synthesized by reaction of the corresponding protonated ligands with anhydrous iron(II)-acetate. Pyridine-2,6-dialdehyde-bis-(2-mercaptoanil)iron(II), [Fe(PyBMA)] was obtained by a template synthesis with pyridine-2,6-dialdehyde, 2-aminothiophenol and iron(II)-acetate. Recrystallizing the complexes [Fe(GBMA)] and [Fe(DBMA)] from pyridine afforded [Fe(GBMA)py] · py and [Fe(DBMA)py] · py. For all complexes the magnetic properties have been determined, and the Mössbauer spectra were recorded at 82 K. Compounds [Fe(GBMA)] and [Fe(DBMA)] show quasi reversible redox properties in the cyclovoltammogram, while for [Fe(PhBMA)] an irreversible oxidation was observed. [Fe(GBMA)py] · py crystallizes in the monoclinic space group P21 with a = 1288.7(1), b = 1242.63(5), c = 1396.0(1) pm, β = 98.24(1)°, and Z = 4. In the neutral complex the Fe atom has a square pyramidal coordination with the pyridine nitrogen atom in apical position. The basal plane is formed by two nitrogen and two sulfur atoms of the ligand GBMA2-. The iron is located 40 pm above the pyramidal base. Its average distances to the donor atoms of the GBMA ligand are Fe—N = 190 pm, and Fe—S = 222 pm, while the distance to the nitrogen atom of the coordinated pyridine molecule is 207 pm.
    Notes: Die Komplexe Glyoxal-bis-(2-mercaptoanil)eisen(II), [Fe(GBMA)], Diacetyl-bis-(2-mercaptoanil)eisen(II), [Fe(DBMA)] und o-Phthaldialdehyd-bis-(2-mercaptoanil)eisen(II), [Fe(PhBMA)] wurden durch direkte Umsetzung der entsprechenden protonierten Liganden mit wasserfreiem Eisen(II)-acetat dargestellt. Die Synthese von Pyridin-2,6-dialdehyd-bis-(2-mercaptoanil)eisen(II), [Fe(PyBMA)] erfolgte mit Hilfe einer Templatsynthese aus 2,6-Pyridindialdehyd, 2-Aminothiophenol und Eisen(II)-acetat. Durch Umkristallisieren in Pyridin wurden aus [Fe(GBMA)] und [Fe(DBMA)] die Verbindungen [Fe(GBMA)py] · py und [Fe(DBMA)py] · py erhalten. Von allen Komplexen wurden die magnetischen Eigenschaften bestimmt und die Mössbauer-Spektren bei 82 K registriert. [Fe(GBMA)] und [Fe(DBMA)] zeigen im Cyclovoltammogramm quasireversibles Redoxverhalten, während bei [Fe(PhBMA)] eine irreversible Oxidation beobachtet wird. [Fe(GBMA)py] · py kristallisiert monoklin in der Raumgruppe P21 mit a = 1288,7(1), b = 1242,63(5), c = 1396,0(1) pm, β = 98,24(1)° und Z = 4. Im Neutralkomplex ist das Fe-Atom quadratisch-pyramidal mit dem Pyridin-Stickstoffatom in apikaler Position koordiniert. Die Pyramidenbasis wird von den zwei Stickstoff- und Schwefelatomen des Liganden GBMA2- aufgespannt. Das Fe-Atom befindet sich 40 pm oberhalb der Pyramidenbasis. Die Abstände zu den Donoratomen des GBMA-Liganden betragen im Mittel Fe—N = 190 pm und Fe—S = 222 pm. Der Fe—N-Abstand zum Pyridinstickstoffatom liegt bei 207 pm.
    Additional Material: 1 Ill.
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    URL: http://dx.doi.org/10.1002/zaac.19976231027
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  • 94
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    Mesityloxomolybdän- und -wolfram-Verbindungen. I. Die Struktur von LiMoO2Me2Mes(OEt2)2 (1997)
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 623 (1997), S. 1661-1664 
    Details
    ISSN: 0044-2313
    Keywords: Organo molybdenum compounds ; oxo complexes ; crystal structure ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Mesityl Oxo Molybdenum and Tungsten Compounds. I. Structure of LiMoO2Me2Mes(OEt2)2LiMoO2Me2Mes(OEt2)2 2 is prepared by literature method [2] from MoO2Mes2 1 and LiMe. Its x-ray structure and NMR-spectral data are presented. 2 adopts a dimer structure in which two [MoO2Me2Mes]- anions are linked via two bridging [Li(OEt2)2]+ cations bonded to the oxo ligands. The resulting [‥OMoOLi‥]2 ring is planar.
    Notes: Die Struktur der bekannten, aus MoO2Mes2 1 und LiMe dargestellten Verbindung LiMoO2Me2Mes(OEt2)2 2 [2] sowie ihre NMR-spektroskopischen Daten werden mitgeteilt. 2 bildet ein in der Raumgruppe P1 kristallisierendes Dimer durch Verknüpfung zweier [MoO2Me2Mes]--Anionen über Oxo-Liganden durch zwei Kationen [Li(OEt2)2]+. Der gebildete [‥OMoOLi‥]2- Achtring ist eben.
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    URL: http://dx.doi.org/10.1002/zaac.19976231030
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  • 95
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    Zur Struktur und Phasenbreite von Na2Gd4Cl9NO (1997)
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 623 (1997), S. 1011-1016 
    Details
    ISSN: 0044-2313
    Keywords: Lanthanoide ; gadolinium nitride oxide halide ; Na2Gd4Cl9NO ; crystal structure ; oxide nitride ; condensed clusters ; range of homogeneity ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Structure and Range of Homogeneity of Na2Gd4Cl9NONa2Gd4Cl9NO could be prepared as colourless compound by heating NaCl, GdN. Gd2O3 and GdCl3 in the ratio of 6 : 3 : 1 : 7 for several months at 810 K in a closed tantalum crucible (space group P21/m, a = 796,1(6) pm, b = 1112.3(5) pm, c = 916.1(7) pm, β = 106.45(6)°, Z = 2 and V = 778.0(9) · 106 pm3). The structure is built from chains of trans edge-shared [Gd4Z]-tetrahedra (Z = N or O). It is isotypic with Na2Pr4Cl9O2 and Na2Pr4Br9NO. X-ray structure determinations from two different single crystals give a hint to a range of homogeneity, Na2-xGd4Cl9N1-xO1+x, which conserves the purely salt like character of the compound via Na+ vacancies.
    Notes: Na2Gd4Cl9NO wurde durch Tempern von Nacl, GdN, Gd2O3 und GdCl3 im Verhältnis 6:3:1:7 bei 810 K im zugeschmolzenen Tantaltiegel in Form farbloser Kristalle erhalten (Raumgruppe P21/m, a = 796.1(6) pm, b = 1112.3(5) pm, c = 916.1(7) pm, β = 106.45(6)°, Z = 2, V = 778.0(9) · 106 pm3). Die Struktur ist aus Ketten trans-kantenkondensierter [Gd4Z]-Tetraeder (Z = N, O) aufgebaut Die Phase ist isotyp mit den bereits beschriebenen Verbindungen Na2Pr4Cl9O2 und Na2Pr4Br9NO. Röntgenstrukturanalysen zweier Kristalle geben Hinweise auf das Vorliegen einer Phasenbreite Na2-xGd4Cl9N1-xO1+x mit Erhalt des Charakters einer normalen Valenzverbindung.
    Additional Material: 3 Ill.
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    URL: http://dx.doi.org/10.1002/zaac.199762301158
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  • 96
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    P—H-funktionalisierte Phosphanidoliganden in der Übergangsmetallchemie: Molekülstruktur von CpZr(μ-PHtBu)2(μ-PtBu)2 {Zr(μ-Cl)Cp}2Professor Roger Blachnik zum 60. Geburtstag gewidmet (1997)
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 623 (1997), S. 277-280 
    Details
    ISSN: 0044-2313
    Keywords: Trinuclear zirconium complex ; phosphanido ligand ; phosphinidene ligand ; crystal structure ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: P—H-functionalised Phosphanido Ligands in Transition Metal Chemistry: Molecular Structure of CpZr(μ-PHtBu)2(μ-PtBu)2 {Zr(μ-Cl)Cp}2The reaction of polymeric [CpZrCl3]n with solvent-free LiPHtBu yields the trinuclear ZrIII/ZrIV complex CpZr(μ-PHtBu)2(μ-PtBu)2 {Zr(μ-Cl)Cp}2 (1) in a redox reaction in low yield. The oxidation product (PHtBu)2 is observed by 31P-NMR spectroscopy. 1 crystallises tetragonal in the space group P43212 with a = 1130.5(5) pm and c = 3415.7(5) pm.
    Notes: Die Reaktion von polymerem [CpZrCl3]n mit solvatfreiem LiPHtBu liefert in einer Redoxreaktion den dreikernigen ZrIII/ZrIV-Komplex CpZr(μ-PHtBu)2(μ-PtBu)2{Zr(μ-Cl)Cp}2 (1) in geringer Ausbeute. 31P-NMR-spektroskopisch kann die Bildung des Oxidationsprodukts (PHtBu)2 gezeigt werden. 1 kristallisiert tetragonal in der Raumgruppe P43212 mit a = 1130,5(5) pm und c = 3415,7(5) pm.
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    URL: http://dx.doi.org/10.1002/zaac.19976230144
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  • 97
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    Dimere IrII-Phthalocyaninate mit (Ir—Ir)-Bindung;Kristallstruktur von Di(pyridinphthalocyaninato(2—)-iridium(II)) (1997)
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 623 (1997), S. 369-378 
    Details
    ISSN: 0044-2313
    Keywords: Iridium compound ; phthalocyaninatc complex ; electrochemistry ; optical spectra ; vibrational spectra ; crystal structure ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Dimeric IrII Phthalocyaninates with an Ir—Ir Bond;Crystal Structure of Di(pyridinephthalocyaninato(2-)-iridium(II))Blue, diamagnetic di(iridiumphthalocyaninate(2-)), [(Irpc2-)2] is prepared by controlled thermal decomposition of di(acido)phthalocyaninatoiridates in an inert, high-boiling solvent like 1-chloronaphthalene or under reduced pressure (T 〈 350°C). It is soluble in pyridine (py) yielding the blue violet, diamagnetic py adduct [{lr(py)pc2-}2]. This crystallizes in the orthorhombic space group P212121 (no, 19) with Z = 4. The short Ir—Ir distance (2.707(1) Å) indicates a strong Ir—Ir single bond. Due to the axial coordination of the py ligands the Ir atoms are virtually bond in the centre (Ct) of the pc ligands (d(Ir—Ct) = 0.06(1) Å). The pc ligands are staggered (α(N—Ir—Ir′—N′) = 43(1)°). In spite of the short interplanar distance (d(Ct—Ct) = 2.827(7) Å) the pc ligands are only slightly distorted (one wagging, one doming). One py ligand is disordered. Ir—Npy distances are 2.35(2) and 2.291(1) Å. Due the labilizing trans influence of the Ir—Ir bond these distances are rather long. The (Npy-Ir1—Ir2—N′py) skeleton is almost linear 177.2(4)°). The Ir—Niso distance is 1.99(2) A. Four quasi-reversible one electron transfer processes at -1.34, -0.82, 0.55 and 0.82 V are observed in the differential pulse voltammogram of [{Ir(py)pc2-)2]. The process at 0.55 V is assigned to the redox couple [{Ir(py2-}2]/[{(py)pc-Ir-;Irpc2-(py)}]+, according to the VIS spectrum of the product obtained by oxidation with iodine. In the UV-VIS-NIR spectrum of the dimer dissolved in pyridine the B region is split into two bands at 14970 (B-) and 17300 cm-1 (B+) of equal intensity due to strong excitonic coupling. The excitonic coupling/structure relationship of different mono- and dinuclear diphthalocyaninates is discussed. The Ir—Ir stretching vibration at 135 cm-1 is selectively enhanced in the FT-Raman spectrum.
    Notes: Blaues, diamagnetisches Di(iridiumphthalo cyaninat(2—), [(Irpc2-)2] wird durch kontrollierten thermischen Abbau von Di(acido)phthalocyaninatoiridaten in einem inerten, hochsiedenden Lösungsmittel wie 1-Chlor-naphthalin oder unter vermindertem Druck (T 〈 350°C) dar gestellt. Es ist in Pyridin (py) unter Adduktbildung als blau violettes, diamagnetisches [{Ir(py)pc2-}22] löslich. Letzteres kristallisiert orthorhombisch -in der Raumgruppe P212121 (Nr. 19) mit Z = 4. Der sehr kurze (Ir—Ir)-Abstand (2,707(1) Å weist auf eine starke (Ir—Ir)-Einfachbindung. In folge der Koordination der py-Liganden in axialer Position befinden sich die Ir-Atome praktisch im Zentrum (Ct) der pc2--Liganden (d(Ir—Ct) = 0,06(1) Å). Die beiden pc2--Liganden sind gestaffelt angeordnet (α(N—Ir—Ir′—N′) = 43(1)°). Trotz des kurzen Interplanar-Abstandes (d(Ct-Ct) = 2,827(7) Å) ist der eine pc2--Ligand kaum propellerartig, der andere kaum konkav verzerrt. Ein py-Ligand ist fehlgeordnet. Die (Ir—Npy)-Bindungslängen betragen 2,35(2) und 2,291(1) Å. Sie sind u.a. wegen des labilisierenden trans-Einflusses der (Ir—Ir)-Bindung ungewöhnlich lang. Das (Npy—Ir1—Ir2—N′py)-Gerüst ist fast linear (177,2(4)°). Der (Ir—Niso)-Abstand beträgt 1,99(2) Å. Im differentiellen Pulsvoltammogramm von [{Ir(py)pc2-}2] beobachtet man vier quasi-reversible Einelektronen-Transfer-Prozesse bei -1,34, -0,82, 0,55 und 0,82V. In Übereinstimmung mit dem VIS-Spektrum des mit lod erhaltenen Oxydationsproduktes wird der Prozeß bei 0,55 V dem Redoxpaar [{Ir(py)pc2-)2]/ [{(py)pc-Ir-Irpc2-(py)}]+ zugeordnet. Im UV-VIS-NIR-Spektrum ist der B-Bereich des in Pyridin gelosten Dimeren auf-grund der starken excitonischen Wechselwirkung in zwei etwa gleich intensive Banden bei 14970 (B-) und 17300cm-1 (B+) aufgespalten. Die Abhängigkeit der Excitonen-Kopplung von der Struktur verschiedener ein- und zweikerniger Diphthalocyaninate wird diskutiert. Im FT-Raman-Spektrum wird die Ir—Ir-Valenzschwingung bei 135cm-1 selektiv angeregt.
    Additional Material: 6 Ill.
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    URL: http://dx.doi.org/10.1002/zaac.19976230159
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    K3[SnSb3], eine Zintl-Phase mit ∞1[SnSb3]3--BändernProfessor Joachim Strähle zum 60. Geburtstag gewidmet (1997)
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 623 (1997), S. 561-564 
    Details
    ISSN: 0044-2313
    Keywords: Tripotassium triantimonidostannate(II) ; anionic chains of six-membered rings ; crystal structure ; Zintl phase ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: K3[SnSb3], a Zintl Phase with ∞1[SnSb3]3- ChainsThe metallic lustrous air sensitive compound K3[SnSb3] was prepared from melts of mixtures of the elements. K3[SnSb3] crystallizes in the monoclinic system, group C2/m (No 12), Z = 2, with lattice constants a = 1768.6(2) pm, b = 428.1(1) pm. c = 604.5(1) pm, β = 95.72(5)°. In the anionic partial structure six-membered rings [Sn2Sb4] with chair conformation are connected via common edges to infinite chains ∞1[SnSb3]3-. The potassium cations separate the chains from each other.
    Notes: Die metallisch glänzende, sehr hydrolyseempfindliche Verbindung K3[SnSb3] wurde aus Schmelzreaktionen, ausgehend von Gemengen der Elemente erhalten. K3[SnSb3] kristallisiert monoklin in der Raumgruppe C2/m (Nr, 12), Z = 2, mit den Gitterkonstanten a = 1768,6(2) pm, b = 428,1(1) pm, c = 694,5(1) pm, β = 95,72(5)°. In der Anionenteilstruktur sind [Sn2Sb4]-Sechsringe in Sesselkonformation über zwei gegenüberliegende Kanten zu eindimensional unendlichen ∞1[SnSb3]3--Bändern verknüpft. Die Kaliumkationen separieren die Bänder voneinander.
    Additional Material: 3 Ill.
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    URL: http://dx.doi.org/10.1002/zaac.19976230187
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    Derivate des Imidazols. XXIII. 2-Iminoimidazolin-Derivate des Magnesiums und AluminiumsProfessor Günter Schmid zum 60. Geburtstag gewidmet (1997)
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 623 (1997), S. 554-560 
    Details
    ISSN: 0044-2313
    Keywords: Magnesium ; aluminium ; 2-iminoimidazoline complexes ; imidazole derivatives ; crystal structure ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Imidazole Derivatives. XXIII. 2-Iminoimidazoline Derivatives of Magnesium and Aluminum1,3-dimethyl-2-iminoimidazoline (7, ImNH) forms with MgI2 the complex [(ImNH)4Mg]I2 (8). Whose X-ray structure analysis implies the presence of NHN bridges in the cation. With MeMgI and n-Bu2Mg the polymeric coordination compounds [(ImN)MgI]n (9) and [(ImN)2Mg]n (10) are formed. 7 and it's trimethylsilyl derivative 12 react with AlMe2Cl to give the ionic complexes [(ImNR)2AlMe2]Cl (11, 13, R = H, SiMe3) which are stable with respect to the formation of imidazol-2-imino complexes. The adduct ImNSiMe3 · AlCl3 (14) accessible from the reaction of 12 and AlCl3 eliminates chlorotrimethylsilane on heating to give the trimeric imino complex [(ImN)AlCl2]3 (15); the X-ray structure of 15 confirms the high π-donor properties of the imino substituent.
    Notes: 1,3-Dimethyl-2-iminoirnidazolin (7, ImNH) bildet mit MgI2 den Komplex [(ImNH)4Mg]I2 (8), dessen Kristallstrukturanalyse das Vorliegen von NHN-Brücken innerhalb des Kations glaubhaft macht. Mit MeMgI und n-Bu2Mg werden die Koordinationspolymeren [(ImN)Mgl]n (9) und [(ImN)2Mg]n (10) gebildet. 7 und dessen Trimethylsilyl-Derivat ImNSiMe3 (12) reagieren mit AlMe2Cl zu den ionischen Komplexen [(ImNR)2AlMe2]Cl (11, 13; R = H, SiMe3), die sich als thermisch stabil bezüglich der Bildung von Imidazol-2-imino-Komplexen erweisen. Das aus 12 und AlCl3 zugängliche Addukt ImNSiMe3 · AlCl3, (14) eliminiert bei thermischer Belastung Chlortrimethylsilan: die strukturanalytische Charakterisierung des trimeren Imino-Komplexes [(ImN)AlCl2]3 (15) belegt die hohe π-Donorkapazität des Imino-Substituenten.
    Additional Material: 2 Ill.
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    URL: http://dx.doi.org/10.1002/zaac.19976230186
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  • 100
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    Über das neue gemischtvalente Ge7F16: [GeF6]2--Oktaeder zwischen [Ge6F10]2+-Schichten - zur stereochemischen Aktivität freier Elektronenpaare (1997)
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 623 (1997), S. 596-602 
    Details
    ISSN: 0044-2313
    Keywords: Germanium fluoride ; stereochemical activity ; crystal structure ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: About the New Mixed Valent Ge7F16: [GeF6]2- Octahedra between [Ge6F10]2+ Sheets - a Contribution to the Stereochemical Activity of Lone PairsFor the first time Ge7F16 colourless transparent single crystals have been prepared by the reduction of GeF4 with Ge at 300°C. The extremely hygroscopic fluoride crystallizes in a new structure type in Cc with a = 1818.0(6) pm, b = 754.3(2) pm, c = 1030.4(3) pm, β = 90.33(3)° und Z = 4.Ge7F16 is a mixed valent fluoride according to 6GeF2 × GeF4. Characteristical building units of the new structure type are [Ge6F10]2+ sheets, which are connected via [GeF6]2- octahedra. The Ge2+ within the sheets are coordinated by three nearest F- with distances of 183-218 pm and together with these form distorted trigonal pyramids. The structure of Ge7F16 can be considered as a member of the homologues series Gem4+Gen2+F4m+2n with m = 1 and n = 6. Bond order summations, band structure calculations and calculations of the Madelung part of the lattice energy. MAPLE, have been used for the discussion of the bonding situation.
    Notes: Neu dargestellt wurden farblose transparente Einkristalle von Ge7F16 durch Reduktion von GeF4 mit Ge bei 300°C. Das äußerst hygroskopische Fluorid kristallisiert in einem neuen Strukturtyp in der Raumgruppe Cc (Nr. 9) mit a = 1818.0(6) pm, b = 754.3(2) pm, c = 1030.4(3) pm, β = 90.33(3)° und Z = 4.Ge7F16 ist gemäß 6GeF2 × GeF4 ein gemischtvalentes Fluorid. Charakteristische Baugruppen des neuen Strukturtyps sind [Ge6F10]2+-Schichten, die über [GeF6]2--Oktaeder verbrückt sind. Die Ge2+ innerhalb der Schichten sind von je drei nächsten F- im Abstand von 183-218 pm koordiniert und bilden mit diesen verzerrte trigonale Pyramiden. Die Struktur von Ge7F16 läßt sich als Glied der homologen Reihe Gem4+Gen2+F4m+2n mit m = 1 und n = 6 beschreiben. Die Bindungsverhältnisse werden anhand von Bindungsordnungssummationen, Bandstrukturrechnungen und Berechnungen des Madelunganteils der Gitterenergie, MAPLE. diskutiert.
    Additional Material: 7 Ill.
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    URL: http://dx.doi.org/10.1002/zaac.19976230193
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