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  • 1995-1999
  • 1990-1994  (154)
  • 1994  (154)
  • crystal structure  (154)
  • 1
    Electronic Resource
    Electronic Resource
    Springer
    Journal of chemical crystallography 24 (1994), S. 759-762 
    ISSN: 1572-8854
    Keywords: Sulfonamide ; methanesulfonanilide ; crystal structure ; molecular structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The title compound, crystallizes in the triclinic space group $$P\bar 1$$ witha=8.232(4),b=9.159(2),c=10.230(3)Å. α=74.07(3)°, β=72.50(4)°, γ=63.65(3)° andZ=2. The structure was solved by direct methods and refined by full matrix least squares methods toR=0.054 for 1817 observed reflections. The plane containing the nitrogen and sulfur atoms is perpendicular to the aromatic plane. One of the S−O bonds in each methanesulfonyl group is in nearly eclipsed conformation with the N−C bond.
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  • 2
    Electronic Resource
    Electronic Resource
    Springer
    Journal of chemical crystallography 24 (1994), S. 437-440 
    ISSN: 1572-8854
    Keywords: Ca(C4H4O4)·H2O ; pentagonal pyramid ; calcium succinate ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The crystal structure of calcium succinate monohydrate, Ca(C4H4O4)·H2O, has been determined by single crystal X-ray diffraction. The crystals are monoclinic witha=11.952(2),b=9.691(2),c=11.606(2)Å, β=108.81(1)°, space group C2/c,Z=8,V=1272.49 Å3,d m =1.80, andd c =1.818 Mg m−3. The structure was refined by full-matrix least-squares techniques toR=0.027,R w =0.040, for 829 reflections with1≥3δ(I). Ca is coordinated to seven oxygen atoms, and the coordination polyhedron is best described as a pentagonal bipyramid. One carboxylate group in the succinate ion is bonded to three different Ca ions, forming a four-membered chelate ring with one Ca ion is bonded to three different Ca ions, forming a four-membered chelate ring with one Ca ion and unidentate bridge bonds to two other Ca ions. The other carboxylate group is bonded to two Ca ions through unidentate bonds. The structure is highly polymeric. The general structural features are nearly identical to those of calcium adipate monohydrate.
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  • 3
    ISSN: 1572-8862
    Keywords: Tungsten ; isomeric forms ; crystal structure ; triple bonds ; interconversion
    Source: Springer Online Journal Archives 1860-2000
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Physics
    Notes: Abstract A thorough study of compounds with the formula W2Cl4(NHCMe3)2(PR3)2, withR 3=Me3, Et3, Prg n 3 Me2,Ph, is reported. In addition to the previously reported crystalline compounds, namely Ia,trans-W2Cl4(NHCMe3)2(PMe3)2 in space group Pmmn;3a,trans-W2Cl4(NHCM3)2(PEt3)2 in space group P21/a (or P21/c); and4,cis-W2Cl4(NHCMe3)2(PMe2Ph)2 in Pna21, we have obtained and structurally characterized the following new substances,1b,trans-W2Cl4,(NHCMe3)2(PMe2)2, space group P21/c,a= 12.233 (4) Å,b= 12.872 (4) Å,c=17.095 (5) Å,β=93.52 (2)°,Z=4,V=2687 (1) Å3 2,cis-W2Cl4(NHCMe3)2(PMe3)2, P21/c,a=9.673 (4) Å,b=17.249 (4) Å,c=16.244 (5) Å,β=99.63 (3),Z = 4 ,V=2669 (1) Å.3b,trans-W2Cl4(NHCMe3)2(PEt3)2, Pl,a=16.850 (3) Å,b=17.797 (3) Å,c= 11.459 (2)Å,α= 101.02 (1),β= 103.13°, y=84.23 (1)°,Z=4,V= 3279 (1) Å5,trans-W2Cl4(NHCM3)2(PMe2Ph)2, Fdd2,a=39.563 (8) Å at 20°C; 39.325 (10) Å at -6O°C,b = 57.543 (17) Å at 20°C; 57.186 (16) Å at -60°C,c= 8.810 (1) Å at 20°C; 8.770 (1) Å at - 60°C ,Z=24,V=20057 (7) Å3 (20°C), 19723 (8) Å3 ( - 60°C) .6,trans-W2Cl4(NHCMe3 2(PPrn 3)2, Pl,a= 17.287 (2) Å (20°C); 17.077 (5) Å (-60°C),b= 19.119 (2) Å (20°C); 18.952 (6) Å (-60°C),c= 12.713 (1) Å (20°C); 12.668 (4) Å (-60°C),Z=4,V= 3980 (1) Å3 (20°C), 3898 (2) ,Å3 ( - 60°C). In addition, the structure of3a was re-determined and refined so that the disorder ratio was a refined parameter, leading to a value of 0.520:0.480 instead of being arbitrarily fixed at 0.50:0.50. In all of the structures the molecules are held in eclipsed (but very distorted) rotational conformations and the W-W distances are all within the range of 2.305-2.330 Å. As will be shown in a later paper, for all phosphines, thecis andtrans isomers are of similar stability and an equilibrium mixture exists in solution. It is also shown that1a and3a do not contain unexpectedly short W-N bonds as previously reported.
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  • 4
    ISSN: 1572-8862
    Keywords: Mixed metal cluster ; alkyne ; diphenylacetylene ; platinum ; osmium ; 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 new platinum-osmium alkyne cluster complex Pt2Os4(CO)8(μ3-PhC2Ph)3 (μ 4-PhC2Ph),2, was obtained from the reaction of Pt2Os4(CO)18,1b, with PhC2Ph and was characterized by IR.1H NMR and single-crystal X-ray diffraction analyses. The cluster of compound2 consists of an osmium capped Pt2Os3 square pyramid. It aLso contains three triply bridging and one quadruply bridging diphenylacetylene ligands. Crystal data for2: space group PI,a = 12.530(2) Å,b = 21.565(4) Å,c = 11.284(2) Å,α = 100.31(2),β = 111.89(1),β = 76.78(2),Z = 2, 3879 reflections,R = 0.032.
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  • 5
    Electronic Resource
    Electronic Resource
    Springer
    Journal of chemical crystallography 24 (1994), S. 731-737 
    ISSN: 1572-8854
    Keywords: Synthesis ; crystal structure ; IR data
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The synthesis, crystal structure and IR data are reported for Na2[Zn(CMA)4]·2EtOH·7H2O, where CMA− is the 9,10-dihydro-9-oxo-10-acridinacetate ion. The complex crystallizes in the monoclinic space group P2/n, with cell dimensionsa=17.335(9),b=8.440(5),c=21.875(12) Å, β=91.94(5)°,Z=2. The structure was solved by direct methods and refined to a finalR value of 0.0363 for 3022 non-zero reflections. The Zn2+ ion occupies twofold axis and is coordinated to four carboxylate ligands, the ZnO4 tetrahedron is considerably distorted with Zn−O distances of 1.978(3) and 1.961(3)Å. Each Na+ cation interacts with two water, one ethanol, and three carboxylate O atoms comprising distorted octahedron. The Zn2+ and Na+ cations are linked through monooxygen and syn-syn carboxylate bridges forming a trinuclear, mixed-metal cluster. The Zn...Na separation is 3.267(2)Å and Na...Na distance equals 3.520(2)Å. All oxygen bonded H-atoms are utilized in hydrogen bonds. The acridone rings overlap in the crystal with the 3.5 Å interlayer separations. The compound has been characterized by IR spectroscopy.
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  • 6
    ISSN: 1572-8854
    Keywords: Pyrimidine ; uracil ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract A new and easy method for the preparation of 1,3,7,9-tetramethylpyrido-[2,3-d∶6,5-d′]-dipyrimidine-2,4,6,8-tetrone is described. The structure of this compound has been solved by means of X-ray diffraction methods. The chemical characterization by spectral (mass, ultraviolet, infrared, and proton nuclear magnetic resonance) and thermal (thermogravimetry and differential scanning calorimetry) method is also reported. The compound is monoclinic, space groupP21/c,a=12.720(5),b=13.688(7),c=8.079(2) Å, β=107.06(4)°,Z=4. The structure consists of discrete tricyclic molecules, stacking playing an important role in crystal packing.
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  • 7
    ISSN: 1572-8854
    Keywords: Centrosymmetric ; symmetry ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The title compound crystallizes in the centrosymmetric triclinic space group $$P\bar 1$$ (C 1 l ; No.2) witha=9.9143(10) Å,b=10.2616(11) Å,c=10.7715(10) Å, α=113.887(8)°, β=109.197(8)°, γ=90.699(9)°,V=932.78(17) Å3 andZ=1. A total of 4869 data were collected and merged to a set of 2450 independent reflections; the structure was solved and refined toR=1.42% andwR=1.94%. The molecule lies on a site of $$\bar 1$$ symmetry and is disordered, with obvious scrambling of carbonyl and chloride ligands. Resulting bond lengths include Ir−P=2.339(1) Å, Ir−Cl=2.398(4) Å and Ir−CO=1.808(15) Å.
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  • 8
    ISSN: 1572-8862
    Keywords: Mixed metal ; platinum ; ruthenium ; alkyne ; 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: Abstarct The ten metal cluster complex Pt2Ru8(CO)23(µ3−H)2, 1 was found to react with EtC2Et to form a new ten metal tris-alkyne complex Pt2Ru8(CO)18(µ3−EtC2Et)2 (µ4−EtC2Et),2 in 35% yield. Complex 2 was characterized by IR,1H NMR , and single crystalx-ray diffraction analyses. The cluster can be viewed as a dodecahedron of eight metal atoms capped with two ruthenium carbonyl groups, two triply bridging EtC2Et ligands and one quadruply bridging EtC2Et ligand. Application of the standard electron counting procedures indicate that this is an unusual complex in which the 18 electron rule applies and the polyhedral skeletal electron pair theory does not. Crystal Data for 2 2.0.5 CH2CI2: space group = P21,a = 12.759(2) A,b=18.438(2)Å,c = 20.197(3) Å,β = 91.59(1)°, Z. = 4, 6394 reflections,R = 0.037.
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  • 9
    ISSN: 1572-882X
    Keywords: cellulose I ; molecular mechanics ; crystal structure ; molecular ; modelling
    Source: Springer Online Journal Archives 1860-2000
    Topics: Agriculture, Forestry, Horticulture, Fishery, Domestic Science, Nutrition , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Abstract Energies for various trial packing arrangements of unit cells for the Iα and Iβ phases of native cellulose discovered by Sugiyamaet al. were evaluated. Both a rigid-ring method, PLMR, and the full-optimization, molecular mechanics program, MM3(90), were used. For both phases the models that had the lowest PLMR energy also had the lowest MM3 energy. Both calculated models have the chains packed ‘up’, O6s intg positions, and the same sheets of hydrogen-bonded chains. The Iβ structure model is essentially identical to that proposed previously for ramie cellulose by Woodcock and Sarko. It is also the same as the best parallel model previously proposed that was based on the X-ray data of Mann, Gonzalez and Wellard, once the various unit cell conventions are considered. Also, the energies from both methods for all three celluloses, Iα, Iβ and II, are in the order that rationalizes their relative stabilites.
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  • 10
    ISSN: 1572-9605
    Keywords: High-Tc superconductivity ; La1.9Bi0.1CuO4+δ ; excess oxygen ; crystal structure ; superconducting transition temperature
    Source: Springer Online Journal Archives 1860-2000
    Topics: Electrical Engineering, Measurement and Control Technology , Physics
    Notes: Abstract We have investigated the relation between the crystal structure and superconductivity in La1.9Bi0.1CuO4+δ , in which the phase separation observed in La2CuO4+δ is suppressed. A phase diagram in theT−δ plane is given for La1.9Bi0.1CuO4+δ with excess oxygen. For very smallδ values, the crystal structure is orthorhombic, and an orthorhombic-tetragonal phase transition occurs markedly atδ ∼ 0.03 in the measured temperature range between 13 and 293 K. Superconductivity is observed in the range of 0.04〈δ〈0.11. This is clear evidence thathigh-T c superconductivity also appears in the tetragonal phase.
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  • 11
    Electronic Resource
    Electronic Resource
    Springer
    Il nuovo cimento della Società Italiana di Fisica 16 (1994), S. 1671-1678 
    ISSN: 0392-6737
    Keywords: Effects of material synthesis ; crystal structure ; chemical composition ; Y-based compounds ; Conference proceedings
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Summary YBCO with high granulometric perfection and low dispersion can be obtained by a low-temperature reaction (≈800°C) of atomic-scale dispersed powders, produced through the thermal decomposition of liquid precursors. As reacted such powders are tetragonal and not superconducting, but they transform into the high-T c phase after optimized annealing treatments. We describe the method we developed and the characteristics of the materials we achieved, and we discuss the main features of the process in the light of the current know-how.
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  • 12
    ISSN: 1572-9001
    Keywords: Isocinchomeronic acid ; 2,5-pyridinedicarboxylic acid ; hydrogen isocinchomeronate ; manganese(II) complex ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract The reactions between Mn(II), Co(II), Ni(II), and Zn(II) ions with isocinchomeronic acid (H2-isocin) afforded complexes of the general formula M(H-isocin)2-2H2O, whereas Fe(II) gives both red and deep red-brown products of the same formula. Various physical measurements suggest that the complexes of M = Co, Ni, Zn, and Fe (brown) are octahedrally coordinated by two aqua ligands and twotrans-N,O-bidentate H-isocin− anions with dimeric hydrogen bonding. Those for M = Mn and Fe (red) are the correspondingcis isomers. The structure of the manganese complex as determined by X-ray crystallography exhibitsC 2 molecular symmetry with Mn-N = 2.279(2), Mn-O(H-isocin)− = 2.196(2), and Mn-O(aqua) = 2.137(2) Å. Each aqua ligand forms two donor O-H ⋯ O hydrogen bonds with carboxy groups of different molecules in adjacent chains.
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  • 13
    ISSN: 1572-9001
    Keywords: tris(pyrazol-1-yl)-s-triazine ; crystal structure ; electron diffraction ; AM1 semiempirical calculation
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract The conformation of the TPT molecule has been analyzed using experimental and computational techniques. The solid-state molecular structure shows similar conformational features to those in the 2-pyrimidine and phenyl derivatives although a different pattern of bond angles in the triazine ring was observed. The AM1 calculations predicted two conformations of comparable stability (ΔE=1.8 kcal/mol) differing in the orientation of one pyrazole ring. While the minimum energy conformation corresponds to a model displayingC 3h symmetry (φ 1=φ 2=φ 3=0°), the other minimum (φ 1=φ 2=0°,φ 3=180°) is close to that observed in the solid state. The electron diffraction results are consistent with a planar or nearly planar conformation in agreement with the preceding studies.
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  • 14
    Electronic Resource
    Electronic Resource
    Springer
    Journal of sol gel science and technology 1 (1994), S. 113-121 
    ISSN: 1573-4846
    Keywords: crystal structure ; complexing agent ; TiO2 ; TiO2-SiO2
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract Many types of TiO2-SiO2 (Ti:Si=50:50 mol%) were prepared by the sol-gel procedure with and without 2-methyl-2, 4-pentanediol (MPD) as an organic ligand. The effect of MPD on the gel structure and the properties of the TiO2 crystals were studied by XRD and raman spectroscopy, and the effect of the sol standing time on the properties of the TiO2 crystals were also studied by XRD spectroscopy. In the gels with MPD, anatase of TiO2 appeared at approximately 580°C, and the crystal structures were similar despite the difference in the gel preparation procedure. The titania gels with MPD were presumed to be dispersed in the silica gel matrix without any Ti-O-Si bond. In the presence of MPD, the formation of titania gels is controlled and the specified TiO2 crystal is produced.
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  • 15
    ISSN: 1573-9171
    Keywords: C60·2S8 ; fullerene complexes ; synthesis ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract The C60·2S8 complex was prepared by reaction of buckminsterfullerene C60 with sulfur in trichloroethylene and its single-crystal X-ray structure was studied at room temperature. Crystals of this compound are monoclinic, space groupC 2/c, a=20.90(1),b=21.10(1),c=10.537(9) Å, β=111.29(7)°,Z=4,d calc=1.89 g·cm−3. The crystal structure of the C60·2S8 complex consists of packed fullerene molecules that form hexagonal channels along thec axis with eight-membered crown-shaped S8 cyclic molecules inside the channels. The distances between the centers of neighboring fullerene molecules are 10.036(7), 10.636(7), and 10.537(9) Å. Each C60 molecule is linked to eight S8 molecules with ten shortened intermolecular contacts C...S 3.41(1)–3.52(2) Å. The average values of the C=C and C-C bond lengths are 1.32(3) and 1.47(3) Å, which attest to a significant degree of localization of electron density in the c60 molecule.
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  • 16
    ISSN: 1573-904X
    Keywords: ephedrine ; pseudoephedrine ; salicylate ; chirality ; salt formation ; homochiral crystal ; racemic compound ; racemic conglomerate ; crystal structure ; conformation
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract The physicochemical properties and crystal structures of the crystalline salts formed by the interaction of an achiral anion, salicylate, with homochiral and racemic ephedrinium and pseudoephedrinium cations were determined. The interaction of ephedrinium or pseudoephedrinium with salicylate in aqueous solution yielded crystalline salts with the notable exception of homochiral ephedrinium. Evaporation of the solvent from solutions of homochiral ephedrine and salicyclic acid in various organic solvents, as well as grinding together solid homochiral ephedrine and solid salicylic acid, yielded viscous semisolids suggesting that homochiral ephedrinium salicylate has a low melting point and/or a high aqueous solubility. Mixing of the two viscous solids, obtained by grinding each of the opposite enantiomers of ephedrine with equimolar salicylic acid, resulted in the formation of racemic ephedrine and subsequently, upon heating, in the formation of racemic ephedrinium salicylate. While racemic ephedrinium salicylate exists as a crystalline compound (P21/n space group) with an equal number of opposite enantiomers in the unit cell, its diastereomer, racemic pseudoephedrinium salicylate, exists as a conglomerate, i.e. a physical mixture, of the homochiral crystals of the opposite enantiomers (each P21 space group). The inability of homochiral ephedrinium to exist as a crystalline salicylate salt at 20–25°C is attributed to its high energy conformation and/or to the poor packing of homochiral ephedrinium salicylate molecules in the crystal lattice.
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  • 17
    Electronic Resource
    Electronic Resource
    Springer
    Journal of inclusion phenomena and macrocyclic chemistry 20 (1994), S. 53-71 
    ISSN: 1573-1111
    Keywords: Lithium ionophores ; podand ; dicyclohexylamides ; Li-complex ; crystal structure ; X-ray analysis
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract The influence of structure and lipophilicity of dicyclohexylamides on the lithium selectivity in membrane electrodes is discussed. The crystal structures of the triamide podand1 and its complex with LiBr1b has been determined by X-ray analysis. Crystal data for ligand1: C48H83O6N3, triclinic,P1,a=10.749(2),b=12.097(3),c=19.123(6)Å, α=95.76(2),β=80.06(2), γ=100.27(2)0,V=2403(1) Ã3,Z=2. Crystal data for the lithium complex1b: C48H83O6N3·LiBr·x C2H5OH, monoclinic,P2 1/c,a=21.297(6),b=16.316(8),c=19.450(4) Å,β=110.87(2)0,V=6315(3) Å3,Z=4. In the complex the ligand adopts a conformation in which oxygen binding sites surrounding the Li+ cation form a slightly distorted trigonal prism.
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  • 18
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    Proteins: Structure, Function, and Genetics 20 (1994), S. 149-166 
    ISSN: 0887-3585
    Keywords: crystal structure ; cold adaption ; catalytic efficiency ; protein stability ; anionic ; ectotherm ; Chemistry ; Biochemistry and Biotechnology
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Medicine
    Notes: The crystal structure of an anionic form of salmon trypsin has been determined at 1.82 Å resolution. We report the first structure of a trypsin from a phoikilothermic organism in a detailed comparison to mammalian trypsins in order to look for structural rationalizations for the cold-adaption features of salmon trypsin. This form of salmon trypsin (T II) comprises 222 residues, and is homologous to bovine trypsin (BT) in about 65% of the primary structure. The tertiary structures are similar, with an overall displacement in main chain atomic positions between salmon trypsin and various crystal structures of bovine trypsin of about 0.8 Å. Intramolecular hydrogen bonds and hydrophobic interactions are compared and discussed in order to estimate possible differences in molecular flexibility which might explain the higher catalytic efficiency and lower thermostability of salmon trypsin compared to bovine trypsin. No overall differences in intramolecular interactions are detected between the two structures, but there are differences in certain regions of the structures which may explain some of the observed differences in physical properties. The distribution of charged residues is different in the two trypsins, and the impact this might have on substrate affinity has been discussed. © 1994 Wiley-Liss, Inc.
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  • 19
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    Proteins: Structure, Function, and Genetics 19 (1994), S. 4-13 
    ISSN: 0887-3585
    Keywords: trichosanthin ; ribosome-inactivating proteins ; crystal structure ; orthorhombic ; molecular replacement ; Chemistry ; Biochemistry and Biotechnology
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Medicine
    Notes: Trichosanthin (TCS) is one of the single chain ribosome-inactivating proteins (RIPs). The crystals of the orthorhombic form of trichosanthin have been obtained from a citrate buffer (pH 5.4) with KC1 as the precipitant. The crystal belongs to the space group P212121 with a = 38.31, b = 76.22, c = 79.21 Å. The structure was solved by molecular replacement method and refined using the programs XPLOR and PROLSQ to an R-factor of 0.191 for the reflections within the 6-1.88 Å resolution range. The bond length and bond angle in the protein molecule have root-mean-square deviations from ideal value of 0.013 Å and 3.3°, respectively. The refined model includes 247 residues and 197 water molecules. The TCS molecule consists of two structural domains. The large domain contains six α-helices, a six stranded sheet, and an antiparallel β-sheet. The small domain has a largest α-helix, which shows a distinct bend. The possible active site of the molecule located on the cleft between two domains was proposed. In the active site Arg-163 and Glu-160, Glu-189 and Arg-122 form two ion pairs, Glu-189 and Gln-156 are hydrogen bonded to each other. Three water molecules are bonded to the residues in the active site region. The structures of TCS molecule and ricin A-chain (RTA) superimpose quite well, showing that the structures of the two protein molecules are homologous. Comparison of the structures of the TCS molecule in this orthorhombic crystal with that in the monoclinic crystal indicates that there are no essential differences of the structures between the two protein crystals. © 1994 Wiley-Liss, Inc.
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  • 20
    Electronic Resource
    Electronic Resource
    Springer
    Journal of inclusion phenomena and macrocyclic chemistry 17 (1994), S. 137-148 
    ISSN: 1573-1111
    Keywords: Clathrate hydrate ; phase diagram ; crystal structure ; tetraisoamylammonium fluoride
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract The phase diagram of the binary (i-C5H11)4NF-water system has been studied in the clathrate formation region. Three polyhydrates have been discovered, two of which (1∶38.9 and 1∶32.7) are the known orthorhombic and tetragonal phases:Pbmn,a=11.88,b=21.53,c=12.70 Å,ρ means=1.019 g cm-3 (0°C), m.p.=32.4°C andP42/m, a=23.729,c=12.466 Å,ρ means=1.062 g cm-3, (0°C), m.p.=31.2°C, respectively. A single crystal X-ray analysis of the novel clathrate hydrate (i-C5H11)4NF·27 H2O is reported. This new clathrate hydrate is tetragonal,I4I/a, witha=16.894(5),c=17.111(2) Å,Z=4, (−50°C), and m.p.=34.6°C. Each (i-C5H11)4N+ cation occupies a four-chamber cavity built of 15-hedra 71635942 (idealized description), with small vacant 5444 cavities filling the intervening space.
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  • 21
    Electronic Resource
    Electronic Resource
    Springer
    Journal of inclusion phenomena and macrocyclic chemistry 17 (1994), S. 187-201 
    ISSN: 1573-1111
    Keywords: β-Cyclodextrin ; sulfathiazole ; inclusion complex ; crystal structure ; thermal analysis
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract An inclusion complex with the formula (β-cyclodextrin) (sulfathiazole) 8.3 H2O has been crystallized and characterized by physicochemical methods including single crystal X-ray analysis. The complex crystallizes in the monoclinic system, space group P21, witha=15.264(4),b= 16.500(6),c=15.559(5) Å,β=117.29(3)o andZ=2. The structure was solved using published co-ordinates forβ-cyclodextrin in an isomorphous complex. Refinement by block-diagonal leastsquares yieldedR=0.061 for 4706 unique observed reflections. Inclusion of sulfathiazole produces a slight ellipticity in the host conformation, but the guest adopts a conformation similar to that observed in its polymorphs. The guest is held in the macrocyclic cavity predominantly by hydrophobic forces, with the phenyl ring near the host primary hydroxyl side and the thiazole ring near the secondary hydroxyl side. The complex packs in layers parallel to theac-plane. Layers are linked by hydrogen bonding to water molecules which are located outside the cyclodextrin cavity. An extensive network of hydrogen bonds mediated chiefly by water molecules stabilizes the crystal structure.
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  • 22
    ISSN: 1573-1111
    Keywords: Gossypol ; complex ; crystal structure ; single crystal ; desolvation ; polymorph
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract The structures of gossypol complexes are extremely sensitive to the halogenomethane present as the guest; e.g. changing the number of Cl atoms in chloromethane derivatives changes the structure of the gossypol complex. The crystals of C30H30O8·CH2Cl2 are monoclinic, space groupC2/c,a=21.320(4),b=19.199(6),c=15.765(2)Å, β=113.05(2)o,V=5916(2)Å3,Z=8,D x=1.35 g/cm3,T=295 K. The structure has been solved by direct methods and refined to the finalR value of 0.084 for 1828 reflections. In the structure H-bonded gossypol molecules form columns, generating channels in the structure which are filled by guest molecules. After decomposition (desolvation) monocrystals of the complexes are conserved without destruction, in which there are rather wide and empty channels though slightly smaller than in the complex. An attempt is made to explain some peculiarities of the behavior of the gossypol polymorph formed on the basis of its structure with empty channels.
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  • 23
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    Springer
    Journal of inclusion phenomena and macrocyclic chemistry 17 (1994), S. 365-376 
    ISSN: 1573-1111
    Keywords: Gossypol ; inclusion compounds ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract The crystal structure of a compound obtained in a condensation reaction of (±)-gossypol with (R)-(+)-phenylethylamine has been determined by X-ray structure analysis. The crystals of C46H48O6N2·(C4H8O2)2 are monoclinic, space groupP21,a=21.243(3),b=8.666(1),c=28.651(4) Å, β=108.24(1)0,V=5009(3) β3,Z=4,D x=1.195 g cm−3, μ(CuK α)=0.66 mm−1,T=292 K. The structure has been solved by direct methods and refined to the finalR value of 0.091 for 4290 observed reflections and 1049 parameters. There are two diastereoisomeric molecules of the host and four solvent molecules in the asymmetric unit. The host molecules are H-bonded into chains with diastereoisomeric molecules alternating along the chain. The fact that the host prefers the association mode in which molecules with a different configuration of the 2,2′-binaphthyl moiety are H-bonded explains why separation of diastereoisomeric diaminogossypols by fractional crystallization has been unsuccessful. The 1,4-dioxane molecules are accommodated in infinite channels but only every second guest molecule in a channel is H-bonded to the host.
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  • 24
    ISSN: 1573-1111
    Keywords: D,L-hexapeptide ; cyclic ; crystal structure ; stacks ; tubular ; β-rings ; channels
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract An X-ray analysis of single crystals (from MeOH) of cyclo(-D-Leu-L-MeLeu-D-Leu-L-MeLeu-D-Leu-L-MeLeu-) has been carried out. The analysis reveals that the molecules of the cyclopeptide occur in the crystals with two slightly different, almost hexagonal backbone conformations of the β-type, and that pairs of molecules with the same conformation interact through their nonmethylated face, forming dimeric units (units A and B) with six interannular H-bonds. This kind of pairing reproduces well that expected for a two-ring element in a stack of antiparalleβ-rings. The X-ray analysis has also revealed the presence in the A units of two water molecules, each at one of two equivalent sites located on the 3-fold axis of the units and equidistant from the center of gravity, and the presence in the B units of one water molecule at the center of the units. This provides experimental support for the idea that stacks ofβ-rings can serve as molecular channels.
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  • 25
    ISSN: 1573-1111
    Keywords: Pentaborate ; boric acid ; clathrate ; diamond-related network ; hydrogen bonding ; tetrapropy-lammonium ; tetrabutylammonium ; crystal structure ; 11B MAS NMR ; 13C MAS NMR ; thermogravimetry
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract Single-crystal X-ray structure analyses of N(nPr)4[B5O6(OH)4][B(OH)3]2,1, and N(nBu)4 [B5O6(OH)4][B(OH)3]2,2, reveal that these materials are novel clathrates, the isotypic host structures of which are three-dimensional assemblies of hydrogen-bonded [B5O6(OH)4]− ionsand B(OH)3 molecules. The assembly of only the pentaborate anions is a distorted (i.e., along [102] elongated) fourconnected diamond-related network. The N(nPr) 4 + and N(nBu) 4 + ions are trapped within the complex three-dimensional channel systems of the host frameworks. Both1 and2 crystallize monoclinically with space groupP21/c andZ=4. The cell constants are:1:a=13.592(5),b=12.082(2),c=17.355(6) Å, β=106.60(2)° (298K);2:a=13.874(3),b=12.585(1),c=17.588(4) Å, β=107.04(1)° (238 K). The results obtained by both11B and13C MAS NMR spectroscopy are discussed. Thermogravimetric studies under a flowing inert-gas atmosphere suggest that water, stemming from polycondensation of the hydrous borate species, is released from the clathrates at ca. 443 K (1) and 398 K (2) before the decomposition of the organic cations starts at ca. 603 K (1) and 603 K (2).
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  • 26
    ISSN: 1573-1111
    Keywords: Calixarenes ; arenetricarbonylchromium ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract The structures of three arene-tricarbonylchromium complexes prepared from cone and 1,3-alternate-25, 26,27,28-tetrapropoxycalix[4]arene(1) and Cr(CO)6 were determined by single crystal X-ray studies. Crystal data for 1,3-alternate-1·Cr(CO)3 are space groupP21/a,a=19.496(3)Å,b=11.118(2)Å,c=19.121(2)Å, β=109.95°(1) andV=3895Å3. The structure was refined toRw=0.068. Crystal data for cone-1·Cr(CO)3 are space groupP21/a,a=21.457(4)Å,b=12.184(1)Å,c=14.816(2)Å, β=91.61°(1) andV=3872Å3. The structure was refined toRw=0.077. Crystal data for cone-1·2Cr(CO)3 are space groupP21/a,a=18.019(3)Å,b=41.347(4)Å,c=11.743(2)Å, β=97.39°(1) andV=8676Å3. The single crystal included two similar but slightly different structures but the data were successfully refined toRw=0.092. The structure of 1,3-alternate-1·Cr(CO)3 differs only slightly from that of the regular 1,3-alternate calix[4]arene. In contrast, cone-1·Cr(CO)3 and cone-1·2Cr(CO)3 show an unusual conformation with a pair of faced gablelike roofs, which is considerbly distorted from the regular cone calix[4]arene. The origin of this distortion is discussed in combination with the spectral studies.
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  • 27
    ISSN: 1573-1111
    Keywords: 12-Membered crown ethers ; ion-selective membrane electrodes ; complexes ; crystal structure ; X-ray analysis ; conformation
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract Lipophilic derivatives of benzo-12-crown-4 and naphtho-12-crown-4 have been synthesized. The behavior of the parent compounds and their derivatives in membrane ion-selective electrodes have been studied. Selectivity changes have been observed with the rise in lipophilicity. Crystal structures of the NaI and KI complexes of benzo-12-crown-4 (1 and2) have been determined by X-ray analysis. The alkali metal and iodide ions are in direct contact in2 but not in1. Compound1 [Na(benzo-12-crown-4)2]·I is triclinic, witha=13.368(8),b=10.727(7),c=10.325(4) Å; α=73.56(4),β=77.73(4), γ=108.70(5)°;Z=2, space group is $$P\bar 1$$ . Compound2 [K(benzo-12-crown-4)2·I] is monoclinic, witha=15.807(8),b=12.043(4),c=15.601(6) Å,β=117.74(3)°;Z=4, space groupC2/c. In both compounds the cations interact with all oxygen atoms of two crown ether molecules. Correlation of the crystal structures and behavior of the crown ethers in ion-selective membrane electrodes is discussed.
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  • 28
    ISSN: 1573-9171
    Keywords: organic conductors ; ion-radical salts ; bis(ethylenedithio)tetrathiafulvalene ; mercury iodides ; crystal structure ; electrochemical synthesis
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract A new cation-radical salt (ET)4[Hg2I6] (1), where ET is bis(ethylenedithio)tetrathiafulvalene, has been synthesized in the system ET-HgI3 −-PhCl. An X-ray study of 1 (a=41.02(5),b=23.01(1),c=8.233(2) Å,V=7772(3) Å3, space groupPc21 b,Z=4,d calc=2.308 g cm−3) has established its composition, chemical formula, and the main structural features. The ET cation-radicals are packed in the conducting layer, the type of packing is α″; the [Hg2I6]2− anion has a dimeric structure. The temperature dependence of the conductivity of the (ET)4[Hg2I6] crystals (σ300=6 Ohm−1 cm−1) has a semiconducting character.
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  • 29
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    Russian chemical bulletin 43 (1994), S. 1384-1389 
    ISSN: 1573-9171
    Keywords: synthesis ; macrocyclic thiophenylene ketone ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract The side reaction of macrocyclization that occurs during the synthesis of poly-(1,4-phenylenesulfide ketone) by polycondensation of a 4,4-dihalobenzophenone with sodium sulfide was studied. It was found that the major product of this reaction is a cyclic trimer, cyclotris-(4,4"-thiodiphenylene ketone) (1). Despite the fact that ketone bridges are more rigid than sulfide bridges, the yield of the macrocycle is rather high, as it is in the synthesis of poly-(1,4-phenylenesulfide), and reaches 20% under high dilution conditions. The structure of 1 was investigated by X-ray diffraction analysis (R = 0.069 on 3138 reflections). Macrocycle 1 is strongly flattened in the crystal; the conformation observed is determined by the packing, since stereochemical analysis indicates high flexibility of the macrocycle. The solvate acetone molecules incorporated in the crystal are disordered, nevertheless, they are strongly fixed in the cavities and channels of the crystal structure.
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  • 30
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    Bognor Regis [u.a.] : Wiley-Blackwell
    Journal of Polymer Science Part B: Polymer Physics 32 (1994), S. 2289-2306 
    ISSN: 0887-6266
    Keywords: poly(ethylene terephthalate) ; fiber ; x-ray diffraction ; crystal structure ; three-phase model ; modulus ; tenecity ; shrinkage ; Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Notes: The structure of four semicrystalline poly(ethylene terephthalate) fibers were analyzed with full-pattern (two-dimensional Rietveld) x-ray diffraction refinement, small-angle x-ray scattering, and thermal mechanical analysis, and compared to some of their known mechanical properties. The classical two-phase model of crystal and amorphous phases were unable to correlate structure and properties. We found that there must be a third phase, an oriented, intermediate phase, located mainly between the fibrils. About 1/3 of the intensity of fiber diffraction of the analyzed samples was contributed from such intermediate phase. For some fiber properties the intermediate phase plays a similar role as proposed for “taut tie molecules.” A simple model for the description of structure-insensitive properties of PET fibers was developed, based on this quantitaitve separation into three phases. The oriented intermediate phase changes the definition and calculation of the basic parameters of the fiber structure, such as crystallinity and orientation. Based on small-angle x-ray evidence, the crystallites are assumed to be separated by layers of largely amorphous material, both surrounded by the intermediate phase. The initial modulus of the fiber is determined mainly by the amount and orientation of the intermediate phase which has a maximum modulus of about 500 g/d on full orientation instead of the earlier predicted 150 g/d for fully oriented semicrystalline fibers. Based on the relationship between tenactity and average orientation function, the maximum tenacity for PET fibers of a structure like the ones analyzed may reach 20-45 g/d instead of earlier predictions of 10 g/d. The additional information needed to understand the structure-sensitive property of shrinkage is discussed. Presently easily accessible parameters have no quantitative predictive capabilities. © 1994 John Wiley & Sons, Inc.
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  • 31
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    Bognor Regis [u.a.] : Wiley-Blackwell
    Journal of Polymer Science Part B: Polymer Physics 32 (1994), S. 2653-2659 
    ISSN: 0887-6266
    Keywords: tetraalkylammonium halide ; atomic force microscopy ; crystal structure ; surface structure ; hextriacontane ; Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Notes: The surface structures of two series of tetra-n-alkylammonium halides, N(CxH2×+1)4I and N(CxH2x+1)4 Br have been investigated with atomic force microscopy (AFM) and compared to hexatriacontane (C36H74). The surfaces could be imaged with atomic resolution. The observed primitive, square surface-patterns of tetra-n-butyl chloride and bromide are in good accord with x-ray single-crystal structure. For n 〉 4, x-ray powder diffraction showed that increasing the alkyl chain-length leads mainly to an appropriate increase of the unit cell along the c-axis, which suggests similar layer structures for all long-chain salts beyond the butyl homologue. Within the centers of the molecular layers of these crystals reside the halide anions and the quaternary nitrogens. The surfaces accessible for AFM consist of methyl end-groups. As the number of carbon atoms increases beyond four, the surface symmetry changes to the face-centered square patterns characteristic of many paraffins. The chains of the tetraalkyl ammonium salts pack, however, less dense than paraffins. © 1994 John Wiley & Sons, Inc.
    Additional Material: 9 Ill.
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  • 32
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    Bognor Regis [u.a.] : Wiley-Blackwell
    Journal of Polymer Science Part B: Polymer Physics 32 (1994), S. 851-857 
    ISSN: 0887-6266
    Keywords: rigid rod polymer ; thermotropic ; aromatic polyester ; oriented film ; thermal expansion ; crystal structure ; Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Notes: The linear thermal expansion coefficients of oriented films of poly(p-phenylene-2,5-didodecyloxy-terephthalate) in the three structures B, A, and Lf are reported. The results are interpreted in terms of a molecular laminate model in which the rigid main-chain layers are separated by the aliphatic side chains. In a film oriented unidirectionally the rigid mainchain layers provide a negative contribution to the thermal expansion coefficient, while the side chains supply a positive contribution. Therefore, the resulting expansion coefficient α depends on the details of the main- and side-chain packing and low-temperature values between α = +0.3 × 10-5 K-1 (A and Lf and α = -1.2 × 10-5 K-1 (B) are found in highly oriented films. Measurements on undrawn films are in accordance with the molecular laminate model. © 1994 John Wiley & Sons, Inc.
    Additional Material: 7 Ill.
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  • 33
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    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 620 (1994), S. 334-342 
    ISSN: 0044-2313
    Keywords: Copper(I) halide complexes ; tetraethylcyclotetraarsoxane copper(I) complexes ; preparation ; crystal structure ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Preparation and Structure of Tetraethylcyclotetraarsoxane Complexes of Copper(I) HalidesThe polymeric complexes [Cu4Cl4{cyclo-(C2H5AsO)4}3]n (1), [Cu3Br3{cyclo-(C2H5AsO)4}2]n (2) and [Cu6I6{cyclo-(C2H5AsO)4}3]n (3) were prepared by the reaction of (C2H5AsO)n and CuX (X = Cl, Br, I) in acetonitrile and characterised by X-ray analysis. All three complexes contain only tetramers (C2H5AsO)4 as ligands, in which the As4O4 ring systems coordinate between two and four Cu-atoms. In each case one As4O4 ring with a crown-shaped conformation is observed, which coordinates either four (in 1) or three (in 2 and 3) axially sited Cu-atoms. In addition there are further (C2H5AsO)4 ligands, which display either a boat-chair- (in 1) or a twist-chair-conformation (in 1-3). The individual building units are connected to one another via Cu—X—Cu bridges (in 2 and 3) and/or centrosymmetric As4O4 ring systems (in 1-3) into chain (1) or layer structures (2 und 3).
    Notes: Die polymeren Komplexe [Cu4Cl4{cyclo-(C2H5AsO)4}3]n (1), [Cu3Br3{cyclo-(C2H5AsO)4}2]n (2) und [Cu6I6{cyclo-(C2H5AsO)4}3]n (3) wurden durch die Umsetzung von (C2H5AsO)n und CuX (X = Cl, Br, I) in Acetonitril dargestellt und durch Röntgenstrukturanalyse charakterisiert. Alle drei Komplexe enthalten lediglich Tetramere (C2H5AsO)4 als Liganden, wobei die As4O4-Ringsysteme zwischen zwei und vier Cu-Atomen koordinieren. Es wird jeweils ein As4O4-Ring mit Kronenkonformation beobachtet, der entweder vier (in 1) oder drei (in 2 und 3) Cu-Atome axial koordiniert. Außerdem liegen weitere (C2H5AsO)4-Liganden in boat-chair- (in 1) oder twist-chair-Konformation (in 1-3) vor. Die einzelnen Baueinheiten werden über Cu—X—Cu-Brücken (in 2 und 3) und/oder zentrosymmetrische As4O4-Ringsysteme (in 1-3) zu Ketten-(1) oder Schichtstrukturen (2 und 3) verknüpft.
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  • 34
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    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 620 (1994), S. 343-345 
    ISSN: 0044-2313
    Keywords: Hexamethyl guanidinium cation ; tetrachloro iron(II) anion ; crystal structure ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Concerning the Reaction of Cp2TiCl2 with [C(NMe2)3][(CO)4FeC(O)NMe2] - Crystal Structure of [C(NMe2)3]2[FeCl4]The title compound forms by the reaction of Cp2TiCl2 with [C(NMe2)3][(CO)4FeC(O)NMe2] in THF solution. It crystallizes in the space group Pbcn with a = 1 566.6(3); b = 976.4(2); c = 1 580.4(4) pm; Z = 4; R = 3.8%. Each [FeCl4]2- in is surrounded by eight cations. Two cations each are connected with one Cl atom by relatively short H … Cl contacts leading to a distortion of the tetrahedral geometry of the anion.
    Notes: Die Titelverbindung entsteht bei der Umsetzung von Cp2TiCl2 mit [C(NMe2)3][(CO)4FeC(O)NMe2] in THF-Lösung. Sie kristallisiert in der Raumgruppe Pbcn mit a = 1 566,6(3); b = 976,4(2); c = 1 580,4(4) pm; Z = 4; R = 3,8%. Jedes [FeCl4]2- Ion ist von acht Kationen umgeben. Je zwei Kationen sind über relativ kurze H … Cl Kontakte mit einem Cl-Atom verbunden, was zu einer Verzerrung der Tetraedergeometrie des Anions führt.
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  • 35
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    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 620 (1994), S. 495-497 
    ISSN: 0044-2313
    Keywords: Dithiatetrazine ; synthesis ; crystal structure ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Darstellung und Röntgenstrukturanalyse von 1,4,2,3,5,6-DithiatetrazinDie Umsetzung von Schwefeldichlorid mit sym-EtO2CNHNHCO2Et 1 ergibt S2[N(CO2Et)]4 2, das analytisch, durch NMR und röntgenographisch charakterisiert wird. Die Strukturanalyse von 2 zeigt, daß der S2N4-Ring Sessel-Konformation hat mit allen vier Estergruppen in pseudoaxialen Positionen. Die Bindungslängen und -winkel werden mit denen in 1 und S4(NR)2 verglichen.
    Notes: Reaction of sulfur dichloride with sym-EtO2CNHNHCO2Et 1 gives the title ring system which has been characterised by microanalyses, nmr, and X-Ray crystallography. The X-ray structure of S2[N(CO2Et)]4 2 reveals that the S2N4 ring adopts a chair conformation with all four ester groups in pseudo-axial positions. Bond lengths and angles are compared with 1 and S4(NR)2.
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  • 36
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    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 620 (1994), S. 483-488 
    ISSN: 0044-2313
    Keywords: o-1λ5,3λ5-Diphosphaphenylene-bis(diphenylphosphane) ; nickel(II) chloride chelate complex ; crystal structure ; NMR, Ir spectra ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: o-1λ5,3λ5-Diphosphaphenylene-bis(diphenylphosphane) and its Chelating PropertiesBis(diphenylphosphanyl)acetylene and 1,1′,3,3′-tetrakis(dimethylamino)-1λ5,3λ5-diphosphete react at higher temperatures to yield the title compound 5, which forms easily the chelate complex 6 with nickel(II) chloride.
    Notes: Bis(diphenylphosphanyl)acetylen und 1,1′,3,3′-Tetrakis(dimethylamino)-1λ5,3λ5-diphosphet reagieren bei höheren Temperaturen zur Titelverbindung 5, die mit Nickel(II)-chlorid leicht den Chelatkomplex 6 bildet.
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  • 37
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    Zeitschrift für anorganische Chemie 620 (1994), S. 1449-1454 
    ISSN: 0044-2313
    Keywords: Lead fluoroaluminate ; preparation ; crystal structure ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Pb3Al2F12: Kristallstruktur eines mit zu Ba3Al2F12 verwandten cyclo-FluoroaluminatDas Fluoroaluminat Pb3Al2F12 wurde in Form von Einkristallen durch Hydrothermal-Synthese erhalten und kristallisiert monoklin in P 21/n mit a = 9,435(6) Å, b = 9,610(5) Å, c = 10,100(9) Å, β = 90,59(5)°, V = 915,7(2) Å3, Z = 4, MoKα, λ = 0,71073 Å, R = 0,0463, Rw = 0,0465, 3 044 symmetrieunabhängige gemessene Reflexe. Die Struktur zeigt tetramere, isolierte, von einem Unternetzwerk unabhängiger Fluoridpolyeder eingeschlossene Oktaeder und ist mit Ba3Al2F12 verwandt. Existenz und Struktur der A3M2F12-Verbindungen werden diskutiert.
    Notes: Pb3Al2F12 is a fluorometalate obtained in single-crystal form by hydrothermal synthesis. It crystallizes in the monoclinic system, space group P 21/n, with a = 9.435(6) Å, b = 9.610(5) Å, c = 10.100(9) Å, β = 90.59(5)°, V = 915.7(2) Å3, Z = 4. The structure was solved from single crystal using 3 044 unique reflections (MoKα, λ = 0.71073 Å), R = 0.0463, Rw = 0.0465. The structure exhibits isolated tetrameric groups of octahedra encaged in a subnetwork of independent fluoride polyhedra and is related to that of Ba3Al2F12. A discussion about the existence and the structure of A3M2F12 compounds is given.
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  • 38
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    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 620 (1994), S. 1471-1475 
    ISSN: 0044-2313
    Keywords: Barium, mercury, platinum, oxide ; crystal structure ; high pressure ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: A Contribution on Ba3Pt4HgO11: The First Alkaline-Earth Oxoplatinate(II,V)/OxomercurateSingle crystals of Ba3Pt4HgO11 were prepared by oxygen high pressure technique (4 200-3 600 bar) and investigated by X-ray methods. It crystallizes with hexagonal symmetry, space group D3h4—P62c, a = 6.021, c = 17.374 Å, Z = 2. Ba3Pt4HgO11 represents a new structure type, showing structural relationships to Ba2Hg3Pd7O14 and to the precious metal 6L-perovskites. The Hg2+ ions show dumb-bell like coordination, Pt2+ a square-planar surrounding and Pt5+ face shared double octahedra.
    Notes: Ba3Pt4HgO11 wurde unter hohem Sauerstoffdruck (4 200-3 600 bar) einkristallin dargestllt und röntgenographisch untersucht. Die Verbindung kristallisiert hexagonal, Raumgruppe D3h4—P62c mit a = 6,021; c = 17,374 Å; Z = 2. Ba3Pt4HgO11 bildet einen neuen Strukturtyp, der kristallchemische Verwandtschaft zu Ba2Hg3Pd7O14 und den Edelmetall-6L-Perowskiten zeigt. Die Hg2+-Ionen weisen eine hantelförmige, Pt2+ eine quadratisch-planare Koordination auf. Pt5+ bildet mit O2- flächenverknüpfte Doppeloktaeder.
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  • 39
    Electronic Resource
    Electronic Resource
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 620 (1994), S. 1479-1482 
    ISSN: 0044-2313
    Keywords: Tris(N,N-diethyl-N′-benzoylselenoureato)cobalt(III) ; preparation ; crystal structure ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: The Crystal Structure of Tris(N,N-diethyl-N′-benzoylselenoureato)cobalt(III)Co(C12H15N2OSe)3 crystallizes in the trigonal space group P3. The cell parameters are a = 16.697(4), c = 8.557(8) Å, Z = 2. The structure was solved with Patterson and direct methods and was refined to a final R-value of 4.59%. CoIII is bidentally coordinated to three N,N-diethyl-N′-benzoylselenourea molecules to form a distorted octahedron with facial arrangement of the selenium and oxygen donor atoms. The Co—Se and Co—O bond lengths are 2.328(2) and 1.943(6) Å, respectively. The arrangement of the molecules within the unit cell leads to the formation of hexagonal channels parallel to the crystallographic c-axis. The wall of the channels is formed by carbon atoms of the phenyl group. The diameter of the channels is 8.148 Å.
    Notes: Co(C12H15N2OSe)3 kristallisiert in der trigonalen Raumgruppe P3 mit den Gitterkonstanten a = 16,697(4), c = 8,557(8) Å, Z = 2. Die Struktur wurde mit Patterson und Direkten Methoden gelöst und bis zu einem R-Wert von 4,59% verfeinert. CoIII bildet mit dem Liganden N,N-Diethyl-N′-benzoylselenoharnstoff einen oktaedrisch koordinierten Neutralkomplex, in dem drei Ligandmoleküle in facialer Anordnung bidental über Selen- und Sauerstoffatome an das Zentralatom gebunden sind. Der Co—Se-Abstand beträgt 2,328(2) Å, der Co—O-Abstand 1,943(6) Å. Die Anordnung der Komplexmoleküle in der Elementarzelle führt zur Ausbildung von hexagonalen Kanälen parallel zur kristallographischen c-Achse. Die Kanalwände werden von Kohlenstoffatomen der Phenylreste gebildet; der Durchmesser der Kanäle beträgt 8,148 Å.
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  • 40
    ISSN: 0044-2313
    Keywords: Sodium hydroxide hydrates ; crystal structure ; hydrogen bonding ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Hydrates of Weak and Strong Bases. XI. The Crystal Structures of NaOH · 3,5H2O and NaOH · 7 H2O. A RefinementThe crystal structures of the hydrates NaOH · 3,5 H2O (space group P21/c, Z = 8 formula units per unit cell; lattice parameters: a = 6.481, b = 12.460, c = 11.681 Å, β = 104.12° at -100°C) and NaOH · 7 H2O (P21/c, Z = 4; a = 7.344, b = 16.356, c = 6.897 Å, β = 92.91° at -150°C) have been redetermined using MoKα diffractometer data. The obtained refinement of the structures, including the localization also of the H atoms for the first time, has led to new findings with respect to the H bonds. In particular, in both hydrates there is one such interaction of the rare type OH- … OH2, from an OH- ion to an H2O molecule, i. e. with the OH- ion as the proton donor.
    Notes: Die Kristallstrukturen der Hydrate NaOH · 3,5H2O (Raumgruppe P21/c, Z = 8 Formeleinheiten pro Elementarzelle; Gitterkonstanten a = 6,481, b = 12,460, c = 11,681 Å, β = 104,12° bei -100°C) und NaOH · 7 H2O (P21/c, Z = 4; a = 7,344, b = 16,356, c = 6,897 Å, β = 92,91° bei -150°C) wurden mit MoKα-Diffraktometerdaten einer Zweitbestimmung unterzogen. Die erreichte Präzisierung der Strukturen, einschließlich der erstmaligen Lokalisierung auch der H-Atome, führte zu neuen Erkenntnissen bezüglich der H-Brücken. Insbesondere gibt es in beiden Hydraten eine solche Wechselwirkung vom seltenen Typ OH- · OH2, von einem OH--Ion zu einem H2O-Molekül, also mit dem OH--Ion als Protondonor.
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  • 41
    ISSN: 0044-2313
    Keywords: New Lithosilicates ; preparation ; crystal structure ; MAPLE and CHARDI calculations ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: More Silicates with „Stuffed Pyrgoms“: CsKNaLi9{Li[SiO4]}4, CsKNa2Li8{Li[SiO4]}4, RbNa3Li8{Li[SiO4]}4 [1] and RbNaLi4{Li[SiO4]}2 [2]Single crystals of the new silicates CsKNaLi9{Li[SiO4]}4, CsKNa2Li8{Li[SiO4]}4, RbNa3Li8{Li[SiO4]}4 and RbNaLi4{Li[SiO4]}2 as well as powder (Rb-containing compounds only) were obtained for the first time. The samples were prepared by heating well ground mixtures of the binary oxides in Ni and Ag tubes, respectively. The structure determination was carried out by four-circle diffractometer data (MoKα radiation; Siemens AED 2):CsKNaLi9{Li[SiO4]}4: tetragonally prismatic crystals, light yellow; 726 I0(hkl), R = 4.4%, Rw = 2.8%; a = 1 102.0(6), c = 637.9(5) pm; Z = 2; space group I4/m; 2 CsO0.55 + Li4TlO4 + glas (560°C, 15 d).CsKNa2Li8{Li[SiO4]}4: tetragonally prismatic crystals, light yellow; 727 I0(hkl), R = 4.4%, Rw = 2.6%; a = 1 103.5(7), c = 637.7(4) pm; Z = 2; space group I4/m; 1.1 CsO0.61 + 1.1 KO0.55 + 1.4 NaO0.52 + 6.5 Li2O + 4 SiO2 (600°C, 60 d).RbNa3Li8{Li[SiO4]}4: tetragonally prismatic crystals, colourless; 600 I0(hkl), R = 2.3%, Rw = 2.0%; a = 1 092.08(6), c = 632.76(4) pm; Z = 2; space group I4/m; 4 RbO0.57 + 3 NaO0.52 + 6.5 Li2O + 4 SiO2 (650°C, 63 d).RbNaLi4{Li[SiO4]}2: monoclinic, ball-shaped, colourless; 1 224 I0(hkl), R = 3.1%, Rw = 3.1%; a = 1 573.10(13), b = 630.48(5), c = 781.25(8) pm, b = 90.566(8)°; Z = 4; space group C2/m; 1.1 RbO0.52 + 1.2 NaO0.45 + 5 Li2O + 4 SiO2 (700°C, 40 d).
    Notes: Einkristalle der neuen Silicate CsKNaLi9{Li[SiO4]}4, CsKNa2Li8{Li[SiO4]}4, RbNa3Li8{Li[SiO4]}4 und RbNaLi4{Li[SiO4]}2, sowie Pulver der Rb-haltigen Verbindungen wurden dargstellt. Die Proben entstanden durch Tempern inniger Gemenge binärer Oxide in geschlossenen Ni- bzw. Ag-Bömbchen. Die Strukturaufklärung erfolgte jeweils durch Vierkreisdiffraktometerdaten (MoKα-Strahlung; Siemens AED 2):CsKNaLi9{Li[SiO4]}4: tetragonale Prismen, hellgelb; 726 I0(hkl), R = 4,4%, Rw = 2,8%; a = 1 102,0(6), c = 637,9(5) pm; Z = 2; Raumgruppe I4/m; 2 CsO0,55 + LiTlO4 + Duran-Glas (560°C, 15 d).CsKNa2Li8{Li[SiO4]}4: tetragonale Prismen, hellgelb; 727 I0(hkl), R = 4,4%, Rw = 2,6%; a = 1 103,5(7), c = 637,7(4) pm; Z = 2; Raumgruppe I4/m; 1,1 CsO0,61 + 1,1 KO0,55 + 1,4 NaO0,52 + 6,5 Li2O + 4 SiO2 (600°C, 60 d).RbNa3Li8{Li[SiO4]}4: tetragonale Prismen, farblos; 600 I0(hkl), R = 2,3%, Rw = 2,0%; a = 1 092,08(6), c = 632,76(4) pm; Z = 2; Raumgruppe I4/m; 4 RbO0,57 + 3 NaO0,52 + 6,5 Li2O + 4 SiO2 (650°C, 63 d).RbNaLi4{Li[SiO4]}2: monoklin, kugelförmig, farblos; 1 224 I0(hkl), R = 3,1%, Rw = 3,1%; a = 1 573,10(13), b = 630,48(5), c = 781,25(8) pm, b = 90,566(8)°; Z = 4; Raumgruppe C2/m; 1,1 RbO0,52 + 1,2 NaO0,45 + 5 Li2O + 4 SiO2 (700°C, 40 d)
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  • 42
    Electronic Resource
    Electronic Resource
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 620 (1994), S. 1532-1536 
    ISSN: 0044-2313
    Keywords: Erbium Clusters, [Er10(C2)2] ; crystal structure ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Cs[Er10(C2)2]I18 and [Er10(C2)2]Br18: Two New Examples for Reduced Halides of the Lanthanides with Isolated [M10(C2)2] ClustersCs[Er10(C2)2]I18 is obtained from the reaction of ErI3 with caesium and carbon in sealed tantalum containers at 700°C and [Er10(C2)2]Br18 through the metallothermic reduction of ErBr3 with rubidium in the presence of carbon at 750°C in sealed niobium containers. The crystal structures {Cs[Er10(C2)2]I18: triclinic, P1; a = 1 105.2(8) pm, b = 1 112.0(7) pm; c = 1 122.9(8) pm; α = 66.91(3)°, β = 87.14(3)°; γ = 60.80(3)°; Z = 1; R = 0.049, Rw = 0.043; [Er10(C2)2]Br18: monoclinic, P21/n, a = 971.8(6) pm, b = 1 623.4(9) pm, c = 1 163.8(6) pm, β = 104.00(6)°; Z = 2; R = 0.077, Rw = 0.057} contain isolated dimeric [Er10(C2)2] clusters. Due to the inclusion of C2 units, the octahedra are elongated in the direction of the pseudo C4 axis. The connecting edges of the two octahedra are exceptionally short (316.7 pm and 314.8 pm respectively). The dimeric units are connected via Xi-a and Xa-i (X = Br, I) bridges according to [Er10(C2)2X10iX8/2i-a]X8/2a-i. Cs+ is surrounded by a cuboctahedron of iodide ions in Cs[Er10(C2)2]I18.
    Notes: Cs[Er10(C2)2]I18 entsteht bei der Umsetzung von Erl3 mit Caesium und Kohlenstoff in verschweißten Tantalampullen bei 700°C, [Er10(C2)2]Br18 bei der metallothermischen Reduktion von ErBr3 mit Rubidium in Gegenwart von Kohlenstoff bei 750°C in verschweißten Niobampullen. Die Kristallstrukturen {Cs[Er10(C2)2]I18: triklin, P1; a = 1 105,2(8) pm; b = 1 112,0(7) pm; c = 1 122,9(7) pm; α = 66,91(3)°; β = 87,14(3)°; γ = 60,80(3)°; Z = 1; R = 0,049, Rw = 0,043; [Er10(C2)2]Br18: monoklin, P21/n; a = 971,8(6); b = 1 623,4(9); c = 1 163,8(6); β = 104,00(6)°; Z = 2; R = 0,077, Rw = 0,057} beinhalten isolierte dimere [Er10(C2)2]-Cluster. Wegen des Einbaus der C2-Hantel sind die Oktaeder entlang ihrer pseudovierzähligen Achse gestreckt. Die verknüpfenden Oktaederkanten weisen einen besonders kurzen Metall-Metall-Abstand auf (316,7 bzw. 314,8 pm). Die dimeren Einheiten sind über Xi-a bzw. Xa-i-Brücken (X = Br, I) miteinander verknüpft, gemäß [Er10(C2)2X10iX8/2i-a]X8/2a-i. Cs+ ist in Cs[Er10(C2)2]I18 kuboktaederisch von Iodidionen umgeben.
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  • 43
    Electronic Resource
    Electronic Resource
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 620 (1994), S. 1549-1558 
    ISSN: 0044-2313
    Keywords: Potassium plumbates ; preparation ; crystal structure ; MAPLE and CHARDI calculations ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: On the Oxidation of Intermetallic Phases: The Oxoplumbates(II) K6[Pb2O5] [1] and K4[PbO3] [2]Very pale yellow crystals of K6[Pb2O5] were obtained by heating a wellground mixture of LiPb und K2O2 (K2O2: LiPb = 2.5:1) in Ag-tubes (550°C; 40 d). The crystal structure, triclinic, space group P1, a = 1 326.7(6); b = 758.8(4); c = 637.0(3) pm; α = 92.17(3)°; β = 94.41(3)°; γ = 112.85(4)°; Z = 2 was determined (four-circle diffractometer data, Mo—Kα-, 3 270 Io(hkl), R = 8.0%, Rw = 3.5%, parameters see text). The pale yellow crystals of K4[PbO3] were received by heating KPb and K2O2 (K2O2: KPb = 3.3:2) in Ni-tubes (450°C; 17 d). The crystal structure (orthorhombic, space group Pbca with a = 658.2(1); b = 1 131.8(4); c = 1 872.2(6) pm; Z = 8) was refined (four-circle diffractometer data, Mo—Kα-, 2 003 Io(hkl), R = 4.9%, Rw = 2.8%).The Madelung Part of Lattice Energy (MAPLE), Effective Coordination Numbers (ECoN), the Mean Fictive Ionic Radii (MEFIR) and the Charge Distribution (CHARDI) are being calculated for both oxides.
    Notes: Äußerst schwach hellgelbe Kristalle von K6[Pb2O5] entstanden beim Tempern inniger Gemenge von LiPb und K2O2 (K2O2: LiPb = 2,5:1) in Ag-Bömbchen (550°C; 40 d). Die Kristallstruktur, triklin, Raumgruppe P1 (I.T. No. 2), mit a = 1 326,7(6); b = 758,8(4); c = 637,0(3) pm; α = 92,17(3)°; β = 94,41(3)°; γ = 112,85(4)°; Z = 2 wurde aufgeklärt (Vierkreisdiffraktometerdaten, Mo—Kα-, 3 270 Io(hkl), R = 8,0%, Rw = 3,5%, Parameter siehe Text). Die blaß gelben Kristalle von K4[PbO3] entstanden beim Tempern von KPb mit K2O2 (K2O2: KPb = 3,3:2) in Ni-Bömbchen (450°C; 17 d). Die Kristallstruktur (orthorhombisch, Raumgruppe Pbca, a = 658,2(1); b = 1131,8(4); c = 1872,2(6) pm; Z = 8) wurde verfeinert (Vierkreisdiffraktometerdaten, Mo—Kα-, 2 003 Io(hkl), R = 4,9%, Rw = 2,8%).Für beide Oxide werden der Madelunganteil der Gitterenergie (MAPLE), Effektive Koordinationszahlen (ECoN), die Mittleren Fiktiven Ionenradien (MEFIR) sowie die Ladungsverteilung (CHARDI) berechnet.
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  • 44
    Electronic Resource
    Electronic Resource
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 620 (1994), S. 1565-1568 
    ISSN: 0044-2313
    Keywords: Strontium, sodium, nickel, oxide ; crystal structure ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Another Alkaline Alkaline-Earth Oxoniccolate of Perovskite Type Structure: Sr12NaNi7O23Single Crystals of Sr12NaNi7O23 were prepared in closed system by Na2O2 flux reaction. X-ray single crystal work show hexagonal symmetry, space group D32-P321, a = 9.429, c = 7.896 Å, Z = 1. Sr12NaNi7O23 is strongly related to the stackered perovskites containing consequently face shared Ni2O9 double octahedra and Na+ inside a trigonal prismatic coordination by oxygen. One underoccupied oxygen point position decreases the coordination number of one Ni3+ of the Ni2O9 groups and a second surrounded by trigonal prisms to corner connected Ni2O7 double tetrahedra. The crystal chemistry will be discussed with respect to compounds of the same structure.
    Notes: Einkristalle von Sr12NaNi7O23 wurden im geschlossenen System mit Na2O2 als Schmelzmittel dargestellt. Röntgenographische Untersuchungen zeigen hexagonale Symmetrie, Raumgruppe D32-P321; a = 9,429; c = 7,896 Å, Z = 1. Sr12NaNi7O23 ist eng mit den Stapelvarianten der Perowskite verwandt und zeigt flächenverknüpfte Ni2O9-Oktaederdoppel sowie Na+ in einer trigonal prismatischen Koordination von Sauerstoff. Eine unterbesetzte Sauerstofflage erniedrigt die Koordinationszahl von einem Ni3+-Ion in den Ni2O9-Gruppen und von einem weiteren in trigonal prismatischer Koordination. Es entstehen eckenverknüpfte Ni2O7- Doppeltetraeder. Die Kristallchemie wird mit Blick auf Verbindungen vom gleichen Strukturtyp diskutiert.
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  • 45
    Electronic Resource
    Electronic Resource
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 620 (1994), S. 1578-1582 
    ISSN: 0044-2313
    Keywords: Copper, tin, borate, oxide ; synthesis ; crystal structure ; X-ray diffraction ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: On a New Copper Tin Borate Oxide with Isolated BO3 Units: Cu5Sn(BO3)2O4Single Crystals of the new compound Cu5Sn(BO3)2O4 were obtained by a B2O3 fluxtechnique. They crystallize in a monoclinic distorted variant of a Ludwigite structure with a partly ordered metal distribution. X-ray investigations on single crystals led to the space group C2h5-P21/c (No. 14); a = 6.3526(7); b = 9.502(1); c = 12.100(9) Å; β = 93.30(3)°; Z = 4. All metal-sites are distorted octahedraly coordinated by oxygen-ions. The structure contains BO3-units and oxygen which is not coordinated to boron.
    Notes: Aus einer B2O3-Schmelze gelang die Synthese von Einkristallen der Substanz Cu5Sn(BO3)2O4, die in einer monoklin verzerrten Strukturvariante eines Ludwigites mit weitgehend geordneter Metallverteilung kristallisiert. Röntgenographische Untersuchungen an Einkristallen ergeben die Raumgruppe C2h5-P21/c (Nr. 14); a = 6,3526(7); b = 9,502(1); c = 12,100(9) Å; β = 93,30(3)°; Z = 4. Die Metallkationen sind verzerrt oktaedrisch von Sauerstoffionen koordiniert. Die Struktur weist sowohl isolierte, planare BO3-Baugruppen als auch nicht an Bor gebundenen Sauerstoff auf.
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  • 46
    Electronic Resource
    Electronic Resource
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 620 (1994), S. 1607-1612 
    ISSN: 0044-2313
    Keywords: Indium polysulfido complexes ; preparation ; crystal structure ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Synthesis and Crystal Structures of (PPh4)2[In(S4)(S6)Cl] and (PPh4)2[In(S4)Cl3]InCl and PPh4Cl yield (PPh4)2[In2Cl6] in acetonitrile. This reacts with Na2S4 in presence of PPh4Cl, forming (PPh4)2[In(S4)(S6)Cl]. Its crystal structure was determined by X-ray diffraction (R = 0.075, 2 282 observed reflexions). It is isotypic with (PPh4)2[In(S4)(S6)Br] and contains anions with trigonal-bipyramidal coordination of In, Cl occupying an axial position, and the S4 and S6 groups being bonded in a chelate manner. The reaction of (PPh4)2[In2Cl6] and sulfur in acetonitrile yielded (PPh4)2[InCl5] and (PPh4)2[In(S4)Cl3]. The crystal structure analysis of the latter (R = 0.072, 4 080 reflexions) revealed an anion with distorted trigonal-bipyramidal coordination of In, the S4 group occupying one axial and one equatorial position; the S4 group shows positional disorder.
    Notes: Aus InCl und PPh4Cl entsteht in Acetonitril (PPh4)2[In2Cl6]. Aus diesem wurde mit Na2S4 im Beisein von PPh4Cl (PPh4)2[In(S4)(S6)Cl] erhalten. Seine Kristallstruktur wurde mittels Röntgenbeugung bestimmt (R = 7,5%, 2 282 beobachtete Reflexe). Es kristallisiert isotyp zum (PPh4)2[In(S4)(S6)Br] und enthält Anionen mit trigonal-bipyramidaler Koordination des In; das Cl-Atom nimmt eine axiale Position ein und die S4- und S6-Gruppe ist jeweils chelatartig gebunden. Aus (PPh4)2[In2Cl6], PPh4Cl und Schwefel entstanden in Acetonitril (PPh4)2[InCl5] und (PPh4)2[In(S4)Cl3]. Nach der Kristallstruktur des letzteren (R = 7,2%, 4 080 Reflexe) ist im [In(S4)Cl3]2--Ion das In-Atom verzerrt trigonal-bipyramidal koordiniert, wobei die S4-Gruppe an eine axiale und eine equatoriale Position gebunden ist; die S4-Gruppe ist fehlgeordnet.
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  • 47
    Electronic Resource
    Electronic Resource
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 620 (1994), S. 879-881 
    ISSN: 0044-2313
    Keywords: Strontium peroxide ; crystal structure ; composition ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Refinement of the Crystal Structure of SrO2Single crystals of SrO2 have been obtained after high pressure/high temperature reaction of a SrO/KClO3 mixture at 20 kbar, 1 400°C. The crystal structure was refined using 154 unique diffractometer data (I4/mmm; a = 3.5626(3), c = 6.6159(6) Å; Z = 2; R = 0.033, Rw = 0.022, S = 0.932). The O—O distance (1.493(4) Å) is significantly longer than the one previously assumed. From a refinement of the site occupation factor for oxygen a composition SrO1.95(2) has been found for the crystal investigated.
    Notes: Einkristalle von SrO2 wurden durch Hochdruck-Hochtemperatur-Reaktion eines SrO—KClO3-Gemisches bei 20 kbar, 1 400°C erhalten. Die Kristallstruktur wurde auf der Basis von Vierkreisdiffraktometerdaten (154 unabhängige Strukturfaktoren) verfeinert (I4/mmm; a = 3,5626(3), c = 6,6159(6) Å; Z = 2; R = 0,033, Rw = 0,022, S = 0,932). Der gefundene O—O-Abstand ist mit 1,493(4) Å deutlich größer als bisher angenommen. Eine Verfeinerung des Besetzungsfaktors von Sauerstoff ergab für den untersuchten Kristall eine Zusammensetzung SrO1,95(2).
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  • 48
    Electronic Resource
    Electronic Resource
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 620 (1994), S. 882-887 
    ISSN: 0044-2313
    Keywords: K6[Al2O6], Rb6[Al2O6] ; preparation ; crystal structure ; MAPLE ; CHARDI ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Preparation of Crystal Structure of K6[Al2O6] and Rb6[Al2O6]Colourless single crystals of K6[Al2O6] have been prepared from intimate mixtures of KAlO2 and K2O (550°C, 90 d). The structure determination from four-circle diffractometer data (MoKα, 742 Io(hkl), R = 2.2%, Rw = 2.1%) confirms the space group C2/m with Z = 2; a = 698.25 pm, b = 1 103.54 pm, c = 646.49 pm, β = 102.49°.Colourless single crystals of hitherto unknown Rb6[Al2O6] have been prepared from intimate mixtures of RbAlO2 and Rb2O (520°C, 120 d). The structure determination from four-circle diffractometer data (MoKα, 1 240 Io(hkl)) results in the residual values R = 7.2%, Rw = 4.9%; space group C2/m; a = 725.92 pm, b = 1 143.33 pm, c = 678.06 pm, β = 104.05°; Z = 2.K6[Al2O6] and Rb6[Al2O6] are isostructural with K6[Fe2O6]. A characteristic structure unit is the anion [Al2O6]6- consisting of two edge-sharing [AlO4] tetrahedra.Effective Coordination Numbers (ECoN), Mean Fictive Ionic Radii (MEFIR), the Madelung Part of Lattice Energy (MAPLE) and the Charge Distribution (CHARDI) are calculated and discussed.
    Notes: Farblose Einkristalle von K6[Al2O6] wurden aus innigen Gemengen von KAlO2 und K2O erhalten (550°C, 90 d). Die Strukturaufklärung (Vierkreisdiffraktometer, MoKα, 742 Io(hkl), R = 2,2%, Rw = 2,1%) bestätigt die Raumgruppe C2/m mit Z = 2; a = 698,25 pm, b = 1 103,54 pm, c = 646,49 pm, β = 102,49°.Analog erhielten wir erstmals Rb6[Al2O6] aus RbAlO2 und Rb2O in Form farbloser Einkristalle (520°C, 120 d). Die Strukturaufklärung (Vierkreisdiffraktometer, MoKα, 1 240 Io(hkl)) ergab in C2/m die Residualwerte R = 7,2%, Rw = 4,9%; a = 725,92 pm, b = 1 143,33 pm, c = 678,06 pm, β = 104,05°.K6[Al2O6] und Rb6[Al2O6] sind mit K6[Fe2O6] isotyp; charakteristische Strukturelemente sind die Anionen [Al2O6]6-, die aus zwei kantenverknüpften [AlO4]-Tetraedern bestehen.Effektive Koordinationszahlen (ECoN), Mittlere Fiktive Ionenradien (MEFIR), der Madelunganteil der Gitterenergie (MAPLE) sowie die Ladungsverteilung (CHARDI) werden berechnet und diskutiert.
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  • 49
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    Electronic Resource
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 620 (1994), S. 177-182 
    ISSN: 0044-2313
    Keywords: Bis(N,N-diethyl-N′-benzoylselenoureato)nickel(II) ; crystal structure ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: The Crystal Structure of Bis(N,N-diethyl-N′ -benzoylselenoureato)nickel(II)Ni(C12H15N2OSe)2 crystallizes in the monoclinic space group P21/c. The cell parameters are a = 11.399(3), b = 16.016(4), c = 14.910(6) Å, β = 104.64(3)° and Z = 4. The structure was solved with Patterson and direct methods and was refined to a final R-value of 5.43%. Nickel is coordinated to two N,N-diethyl-N′ -benzoylselenourea molecules to form a bidentally coordinated chelate complex with cis arrangement of the donor atoms. Coordinaton around the nickel atom is planar while the chelate rings diverge from planarity. The ethyl groups of one diethylamino group are disordered. The Ni—Se bond lengths are 2.244(1) and 2.264(1) Å, the Ni—O bond lengths are 1.871(4) and 1.883(4) Å, respectively.
    Notes: Ni(C12H15N2OSe)2 kristallisiert in der monoklinen Raumgruppe P21/c mit den Gitterkonstanten a = 11,399(3), b = 16,016(4), c = 14,910(6) Å, β = 104,64(3)°, Z = 4. Die Struktur wurde mit Patterson und Direkten Methoden gelöst und bis zu einem R-Wert von 5,43% verfeinert. Nickel bildet mit dem Liganden N,N-Diethyl-N′-benzoylselenoharnstoff einen bidental koordinierten Chelatkomplex, in dem zwei Ligandmoleküle über Selen- und Sauerstoffatome in cis-Anordnung an das Zentralatom koordiniert sind. Die Koordinationssphäre um das Nickelatom ist planar, die Chelatringe weichen dagegen deutlich von der Planarität ab. Die Ethylgruppen einer Diethylaminogruppe sind fehlgeordnet. Die Ni—Se-Abstände betragen 2,244(1) und 2,264(1) Å, die Ni—O-Abstände 1,871(4) und 1,883(4) Å.
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  • 50
    Electronic Resource
    Electronic Resource
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 620 (1994), S. 1137-1141 
    ISSN: 0044-2313
    Keywords: Cadmium ; mercury ; oxide ; high pressure ; crystal structure ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: CdHgO2: An Oxomercurate related to the Crednerite StructureSingle crystals of CdHgO2 were prepared by oxygen high pressure technique (600°C, 3900 bar) and investigated by X-ray technique. It crystallizes with monoclinic symmetry, space group C2h3-C2/m; a = 5.933, b = 3.452, c = 5.875 Å, β = 91.26°; Z = 2. The Hg2+ ions show dumb-bell like coordination, Cd2+ an octahedral one. CdHgO2 shows strong relationship to the Crednerite structure. The orientation of the O—Hg—O dump-bells to the CdO6 octahedra layers is discussed with respect to related oxomercurates.
    Notes: CdHgO2 wurde mit Sauerstoff-Hochdrucktechnik (600°C, 3900 bar) einkristallin dargestellt und röntgenographisch untersucht. Es kristallisiert monoklin, Raumgruppe C2h3-C2/m mit a = 5,933, b = 3,452, c = 5,875 Å, β = 91,26° und Z = 2. Die Hg2+-Ionen zeigen eine hantelförmige, Cd2+ eine oktaedrische Koordination. CdHgO2 zeigt große Ähnlichkeit zur Crednerit-Struktur. Die Anordnung der O—Hg—O-Hanteln zu den CdO6-Oktaederschichten wird unter Bezug auf verwandte Oxomercurate diskutiert.
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  • 51
    Electronic Resource
    Electronic Resource
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 620 (1994), S. 1992-1997 
    ISSN: 0044-2313
    Keywords: Copper antimony sulfide ; sulfo salts ; crystal structure ; phase transitions ; Extended Hückel calculations ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Cu3SbS3: Crystal Structure and PolymorphismThe hitherto unknown crystal structure of β-Cu3SbS3 at room temperature could be determined from a twinned crystal. The compound crystallizes in the monoclinic system, space group P21/c (No. 14), with a = 7.808(1), b = 10.233(2) and c = 13.268(2) Å, β = 90.31(1)°, V = 1 060.1(2) Å3, Z = 8. An Extended-Hückel-Calculation shows weak bonding interactions between copper atoms which are coordinated trigonal planar. At -9°C a first order phase transition occurs and the crystals disintegrate. The low-temperature modification (γ) crystallizes in the orthorhombic system with a = 7.884(2), b = 10.219(2) and c = 6.623(2) Å, V = 533.6(2) Å3 (-100°C). At 121°C a phase transition of higher order is observed. The high-temperature polymorph (α) of Cu3SbS3 is orthorhombic again. From high-temperature precession photographs the space groups Pnma (No. 62) or Pna21 (No. 33) can be derived. The lattice constants at 200°C are a = 7.828(3), b = 10.276(4) and c = 6.604(3) Å, V = 531.2(2) Å3.
    Notes: Die bisher unbekannte Kristallstruktur von β-Cu3SbS3 bei Zimmertemperatur wurde anhand eines verzwillingten Kristalls ermittelt. Die Verbindung kristallisiert monoklin, RG P21/c (Nr. 14) mit a = 7,808(1), b = 10,233(2) und c = 13,268(2) Å, β = 90,31(1)°, V = 1 060,1(2) Å3, Z = 8. Eine Extended-Hückel-Rechnung ergibt schwach bindende Wechselwirkungen zwischen den trigonal-planar koordinierten Kupferatomen. Bei -9°C erfolgt eine reversible Phasenumwandlung 1. Ordnung, bei der die Kristalle zerfallen. Die Tieftemperaturmodifikation (γ) kristallisiert orthorhombisch mit a = 7,884(2), b = 10,219(2) und c = 6,623(2) Å, V = 533,6(2) Å3 (-100°C). Beim Aufheizen beobachtet man bei 121°C eine Phasenumwandlung höherer Ordnung. Die Hochtemperaturmodifikation (α) von Cu3SbS3 kristallisiert ebenfalls orthorhombisch. Aus Hochtemperatur-Präzessionsaufnahmen ergibt sich Pnma (Nr. 62) oder Pna21 (Nr. 33) als mögliche Raumgruppe. Die Gitterkonstanten bei 200°C sind nach Guinier-Aufnahmen a = 7,828(3), b = 10,276(4) und c = 6,604(3) Å, V = 531,2(2) Å3.
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  • 52
    Electronic Resource
    Electronic Resource
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 620 (1994), S. 2026-2032 
    ISSN: 0044-2313
    Keywords: Lithium silicate plumbate ; preparation ; crystal structure ; MAPLE and CHARDI calculations ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Li10Si2PbIIO10 = Li20[(SiO4)4(OPbO2PbO)]  -  The first „mixed“ Silicate-Plumbate(II)Colourless crystals of Li10Si2PbO10 were obtained by heating a well-ground mixture of LiPb, Li2O2 and „SiO2“ (deriving from Duran glas) in Ag-tubes (650°C; 60 d). The crystal structure was determined (four-circle diffractometer data, Mo—Kα-, 1 474 Io(hkl), R = 4.2%, Rw = 2.8%, parameters see text). The silicate-plumbate crystallizes monoclinic (space group C2/m; I. T. No. 12) with a = 2985.1(4); b = 610.6(6); c = 512.8(1) pm, β = 99.70(9)° (four-circle data), Z = 4.Further the Madelung Part of Lattice Energy (MAPLE), Effective Coordination Numbers (ECoN), the Mean Fictive Ionic Radii (MEFIR) and the Charge Distribution (CHARDI) are being calculated.
    Notes: Farblose Kristalle von Li10Si2PbO10 entstanden beim Tempern inniger Gemenge von LiPb, Li2O2 und „SiO2“ (aus Duranglas) in Ag-Bömbchen (650°C; 60 d). Die Kristallstruktur wurde aufgeklärt (Vierkreisdiffraktometerdaten, Mo—Kα-, 1 474 Io(hkl), R = 4,2%, Rw = 2,8%, Parameter siehe Text). Das Silicat-Plumbat kristallisiert monoklin (Raumgruppe C2/m; I. T. No. 12) mit a = 2 985,1(4); b = 610,6(1); c = 512,8(1) pm; β = 99,70(9) (Vierkreisdaten), Z = 4.Ferner werden der Madelunganteil der Gitterenergie (MAPLE), Effektive Koordinationszahlen (ECoN), die Mittleren Fiktiven Ionenradien (MEFIR) sowie die Ladungsverteilung (CHARDI) berechnet.
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  • 53
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    Electronic Resource
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 620 (1994), S. 299-303 
    ISSN: 0044-2313
    Keywords: Rhenium complexes ; rhenium trichalcogenido, -tetrachalcogenido complexes ; preparation ; crystal structure ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: New Rhenium Complexes Containing Trichalcogenido and Tetrachalcogenido Chelate LigandsThe reactions of Cp*ReCl4 with polychalcogenide salts such as Na2S4 or (NEt4)2Se6 lead initially to the violet trichalcogenido chelate complexes Cp*ReCl2(E3) (E = S (3a), Se (3b)) which, due to their functional chloro ligands, can be used as intermediates for further reactions. Upon hydrolysis in moist solvents or aminolysis with tert. butylamine 3a, b are converted into the tetrachalcogenido chelate complexes Cp*Re(O)(E4) (E = S (4a), Se (4b)) and Cp*Re(NtBu)(E4) (E = S (5a), Se (5b)), respectively. X-Ray structure analyses were carried out for the three mononuclear cyclo-oligoselenido compounds 3b-5b. It appears that the size of the Se2-n chelate ring (n = 3 or 4) essentially depends on steric factors within the coordination sphere of rhenium.
    Notes: Die Reaktionen von Cp*ReCl4 mit Polychalkogenid-Salzen wie Na2S4 oder (NEt4)2Se6 führen zunächst zu den violetten Trichalkogenido-Chelatkomplexen Cp*ReCl2(E3) (E = S (3a), Se (3a), die aufgrund der funktionellen Chloroliganden als Zwischenstufen bei weiteren Reaktionen verwendet werden können. Bei Hydrolyse in feuchten Solvenzien oder Aminolyse mit tert. Butylamin werden 3a, b in die Tetrachalkogenido-Chelatkomplexe Cp*Re(O)(E4) (E = S (4a), Se (4b) bzw. Cp*Re(NtBu)(E4) (E = S (5a), Se (5b) umgewandelt. Für die drei einkernigen cyclo-Oligoselenido-Verbindungen 3b-5b wurden Röntgenstrukturanalysen durchgeführt. Es scheint, daß die Größe des Se2-n-Chelatrings (n = 3 oder 4) im wesentlichen von sterischen Faktoren innerhalb der Koordinationssphäre des Rheniums abhängt.
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  • 54
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    Electronic Resource
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 620 (1994), S. 309-312 
    ISSN: 0044-2313
    Keywords: Barium vanadium oxide fluoride ; synthesis ; crystal structure ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Kristallstruktur eines neuen azentrischen Oxidfluorids des VIV: BaVOF4Die Struktur von BaVOF4, erhalten durch hydrothermale Synthese, wurde röntgendiffraktometrisch aus Einkristalldaten bestimmt: Raumgruppe Fdd2 (azentrisch), Z = 16, a = 7,920(1), b = 27,608(2), c = 7,375(1) Å mit R = 0,0262, Rw = 0,0273 für 1 508 unabhängige Reflexe und 64 Parameter. Das Gitter wird von cis-verknüpften VOF5-Oktaedern aus gewinkelten unendlichen Ketten entlang [101] und [101] gebildet, die über Barium-Kationen verbunden sind. Die Lage der O2- und F- wird mittels Valenzband-Rechnungen diskutiert. Wie für BaTiOF4 und einige Verbindungen aus der Reihe AIIMIIIF5 (A = Ba, Sr und M = Ga, Al, Mn) kann die Struktur durch quasi-hexagonal dichteste Ebenen aus Stapeln von Ba2+, O2-- und F--Ionen beschrieben werden.
    Notes: The structure of BaVOF4 has been determined by X-ray diffraction data from a single crystal obtained by hydrothermal synthesis: S.G. Fdd2 (acentric), Z = 16, a = 7.920(1), b = 27.608(2) and c = 7.375(1) Å with R = 0.0262 and Rw = 0.0273 for 1 508 independent reflections and 64 parameters. The network is built up from cis-linked VOF5 octahedra forming infinite kinked chains running along the [101] and [101] directions, connected by barium cations. The location of O2- and F- ions is discussed using bond valence calculations. As for BaTiOF4 and some compounds in the series AIIMIIIF5 (A = Ba, Sr and M = Ga, Al, Mn), the structure can be described in terms of a quasi hexagonal compact planes stacking of Ba2+, O2- and F- ions.
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  • 55
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    Electronic Resource
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 620 (1994), S. 313-318 
    ISSN: 0044-2313
    Keywords: Barium, copper, zinc, oxide ; 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 Ba25Cu142+Cu43+Zn4O49Single crystals of Ba25Cu142+Cu43+Zn4O49 were prepared with solid state and flux reactions. X-ray investigations show tetragonal symmetry, space group D74th-P4/nmm, a = 18.2146, c = 9.3230 Å, Z = 2. The hitherto unknown structure type shows copper in square pyramids and planar polygones, connected to six member rings or Cu5O20 groups. Slightly bent Cu5O12 groups produced by edge connection of five CuO4 polygones are connected with ZnO4 tetrahedra forming Cu5Zn4O20 units. The complicated structure is shown step by step.
    Notes: Einkristalle von Ba25Cu142+Cu43+Zn4O49 wurden mit einer Kombination von Feststoff- und Schmelzmittel-reaktionen dargestellt. Diese Substanz kristallisiert tetragonal, Raumgruppe D74th-P4/nmm mit a = 18,2146, c = 9,3230 Å, Z = 2. Der bisher unbekannte Strukturtyp zeigt Kupfer in tetragonal pyramidaler und planarer Koordination. Diese Polygone sind zu Sechsringen oder Cu5O20-Baugruppen verknüpft. Schwach gebogene Cu5O12-Baugruppen, die durch Kantenverknüpfung von fünf planaren CuO4-Polygonen gebildet werden, sind mit ZnO4-Tetraedern verknüpft und bilden Cu5Zn4O20-Baueinheiten aus. Die komplizierte Kristallstruktur wird schrittweise aufgebaut.
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  • 56
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    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 620 (1994), S. 319-322 
    ISSN: 0044-2313
    Keywords: Cobalt, arsenic, nickel, oxide ; crystal structure ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: A Contribution about a New Cobalt-rich Oxoarsenate/-vanadate: Co5AsVO10Single crystals of Co5AsVO10 were prepared by solid state reactions and investigated by X-ray structure determination. It crystallizes with monoclinic symmetry, space group C2h3-C2/m, a = 19.134, b = 6.095, c = 17.482 Å, β = 133.37°; Z = 8. The new structure type is characterized by layers of CoO6- and AsO6-octahedra with partly alternating occupation. The layers are connected by Co2+ within tetrahedral oxygen coordination and tetrahedra around statistically occupied point positions of V5+ /As5+.
    Notes: Einkristalle von Co5AsVO10 wurden durch Feststoffreaktionen erhalten und röntgenographisch untersucht. Diese Verbindung kristallisiert mit monokliner Symmetrie, Raumgruppe C2h3-C2/m; a = 19,134; b = 6,095; c = 17,482 Å; β = 133,37°; Z = 8. Der neue Strukturtyp ist durch CoO6- und AsO6-Oktaederschichten ausgezeichnet, die teilweise alternierend mit Co2+ und As5+ besetzt sind. Die Oktaederschichten werden durch Co2+ in tetraedrischer Koordination und statistisch mit V5+ und As5+ besetzte Punktlagen verknüpft.
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  • 57
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    Electronic Resource
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 620 (1994), S. 326-328 
    ISSN: 0044-2313
    Keywords: Lanthanum calcium copper gallate ; crystal structure ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Zur Kristallstruktur von LaCaCuGaO5Die Kristallstruktur von LaCaCuGaO5 wurde röntgenographisch an Einkristallen untersucht. Es kristallisiert orthorhombisch in der Raumgruppe C2v22-Ima2 mit a = 15,8467, b = 5,5077, c = 5,3188 Å, Z = 4. LaCaCuGaO5 gehört zum Brownmillerit-Typ und zeigt somit Schichten von eckenverknüpften CuO6-Oktaedern, die über GaO4-Tetraeder vernetzt sind. Die La3+- bzw. Ca2+-Ionen besetzen eine Punktlage statistisch.
    Notes: The crystal structure of LaCaCuGaO5 has been investigated by single crystal X-ray analysis. It crystallizes with orthorhombic symmetry, space group C2v22-Ima2, a = 15.8467, b = 5,5077, c = 5.3188 Å, Z = 4. LaCaCuGaO5 belongs to the mineral Brownmillerite showing layers of corner connected CuO6 octahedra linked by GaO4 tetrahedra. The La3+ and Ca2+ ions are distributed statistically over one crystallographic point position.
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  • 58
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    Electronic Resource
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 620 (1994), S. 323-325 
    ISSN: 0044-2313
    Keywords: Strontium, titanium, gallium, oxide ; crystal structure ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Single Crystal X-Ray Analysis of Sr3TiGa10O20Single crystals of Sr3TiGa10O20 were prepared by recrystallisation of a molten oxide mixture and investigated by X-Ray technique. It crystallizes with monoclinic symmetry, space group C2h3-C2/m, a = 15.451, b = 11.579, c = 5.051 Å, β = 108.57°, Z = 2. Sr3TiGa10O20 belongs to the Pb3GeAl10O20 type, showing Ga3+ in tetrahedral and octahedral coordination. The octahedral coordinated point positions are occupied by Ga3+ and Ti4+ statistically.
    Notes: Einkristalle von Sr3TiGa10O20 wurden durch Rekristallisation aus Schmelzen erhalten und röntgenographisch untersucht. Diese Verbindung kristallisiert mit monokliner Symmetrie, Raumgruppe C2h3-C2/m, a = 15,451; b = 11,579; c = 5,051 Å; β = 108,57°; Z = 2. Sr3TiGa10O20 gehört zum Pb3GeAl10O20-Typ und zeigt Ga3+ in tetraedrischer und oktaedrischer Koordination. Die oktaedrisch koordinierten Punktlagen sind mit Ga3+ und Ti4+ statistisch besetzt.
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  • 59
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    Zeitschrift für anorganische Chemie 620 (1994), S. 805-808 
    ISSN: 0044-2313
    Keywords: Lithiumtetrahydrogenorthoperiodate monohydrate ; crystal structure ; tetrahydrogenorthoperiodate Ion ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: On the Existence of the Tetrahydrogenorthoperiodate Ion. The Crystal Structure of LiH4IO6 · H2OThe crystal structure of LiH4IO6 · H2O has been determined (P1; a = 564.74(12), b = 574.41(13), c = 970.4(6) pm, α = 101.37(2), β = 96.37(2), γ = 114.72(2)°; Z = 2; 5 731 independent reflections; R = 0.038). All hydrogen-atoms were localized from difference fourier map and refined without applying constraints. Thus the existence of the tetrahydrogenorthoperiodate-ion in the solid state is proved, unambigously. The crystal structure is discussed and compared to other alkaliorthoperiodates.
    Notes: Die Kristallstruktur von LiH4IO6 · H2O wurde bestimmt (P1; a = 564,74(12), b = 574,41(13), c = 970,4(6) pm, α = 101,37(2), β = 96,37(2), γ = 114,72(2)°; Z = 2; 5 731 unabhängige Reflexe, R = 0,038). Alle Wasserstofflagen konnten aufgefunden und frei verfeinert werden und beweisen erstmals die Existenz des Tetrahydrogenorthoperiodations im Festkörper. Die Kristallstruktur wird diskutiert und mit denjenigen anderer Alkaliorthoperiodate verglichen.
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  • 60
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    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 620 (1994), S. 950-954 
    ISSN: 0044-2313
    Keywords: Tetrabromobispyridinemolybdates ; preparation ; isomerisation ; crystal structure ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Darstellung von cis-tetrabromobispyridinemolybdaten(III) und die Kristallstruktur von cis-(NH4)[MoBr4py2] · ⅓ H2O (py = Pyridin)(NH4)2[MoBr5 · H2O] reagiert mit Pyridin im Acetonitril (CH3CN) bei Zimmertemperatur. Das Produkt ist ein Gemenge von cis- und trans-(pyH)[MoBr4py2], das auf Grund der Löslichkeitsunterschiede aufgetrennt werden kann. cis-M[MoBr4py2] · ⅓ H2O (M = NH4+, Rb+, Cs+), cis-(bipyH)[MoBr4py2] (bipy = 2,2′-Bipyridyl) und cis-(PPh4)[MoBr4py2] wurden aus cis-(pyH)[MoBr4py2] dargestellt.In siedendem Acetonitril (82°C) erfolgt irreversible cis-trans-Isomerisierung. Brom oxidiert das cis-Diastereoisomere zu trans-MoBr4py2.Die Verbindungen wurden durch chemische Analyse, Infrarot-, UV-VIS-Spektroskopie, Konduktometrie und Röntgen-Pulveraufnahmen charakterisiert.Die Kristallstruktur von cis-(NH4)[MoBr4py2] · ⅓ H2O wurde bestimmt: rhomboedrisch, R3c, (No. 161), a = 15,809(3) Å, β = 112,79(2)°, Z = 6, Dröntg. = 2,29, Dgemess. = 2,27(3) g/cm3, V = 2 601(1) Å3, R1 = 0,046, Rw = 0,068. Die mittleren Mo—Br und Mo—N(Pyridin)-Abstände sind 2,58(2) bzw. 2,20(2) Å. cis-Rb[MoBr4py2] · ⅓ H2O und cis-Cs[MoBr4py2] · ⅓ H2O sind isostrukturell mit cis-(NH4)[MoBr4py2] · ⅓ H2O.
    Notes: The reaction between (NH4)[MoBr5 · H2O] and pyridine in acetonitrile (CH3CN) at room temperature results in the mixture of cis- and trans-(pyH)[MoBr4py2] which can be separated on the basis of solubility. cis-M[MoBr4py2] · ⅓ H2O (M = NH4+, Rb+, Cs+), cis-(bipyH)[MoBr4py2] (bipy = 2,2′-bipyridil) and cis-(PPh4)[MoBr4py2], were prepared from cis-(pyH)[MoBr4py2].At the temperature of boiling acetonitrile irreversible cis to trans isomerisation takes place. Bromine oxydizes cis isomers at room temperature to trans-MoBr4py2.The compounds were characterised by chemical analysis, infrared, UV-VIS spectroscopy, conductivity measurements and powder diffraction.The crystal structure of cis-(NH4)[MoBr4py2] · ⅓ H2O has been determined: rhombohedral, R3c, (No. 161), a = 15.809(3) Å, β = 112.79(2)°, Z = 6, DC = 2.29, DO = 2.27(3) g/cm3, V = 2 601(1) Å3, R1 = 0.046, Rw = 0.068. Average Mo—Br and Mo—N(pyridine) distances within the anion are 2.58(2) and 2.20(2) Å. cis-Rb[MoBr4py2] · ⅓ H2O and cis-Cs[MoBr4py2] · ⅓ H2O are isostructural with cis-(NH4)[MoBr4py2] · ⅓ H2O.
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  • 61
    ISSN: 0044-2313
    Keywords: Alkali uranium halides, A2UX5 (A = K, Rb; X = Cl, Br, I) ; preparation ; crystal structure ; magnetic susceptibility ; UV-Vis spectra ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Synthese, Kristallstruktur, Magnetismus und Absorptionsspektren von Halogeniden des Typs A2UX5 (A = K, Rb; X = Cl, Br, I)Die ternären Uran(III)-halogenide A2UX5 (A = K, Rb; X = Cl, Br, I) wurden aus den binären Komponenten AX und UX3 in verschweißten Tantalampullen gewonnen. Nach Guinier-Aufnahmen (Raumtemperatur) kristallisieren sie sämtlich im K2PrCl5/Y2HfS5-Typ. Einkristall-Strukturverfeinerungen wurden für K2UI5 und Rb2UCl5 unternommen. Magnetische Suszeptibilitätsmessungen erfolgten mit einem SQUID-Magnetometer von Raumtemperatur bis zur Temperatur des flüssigen Heliums: Eindimensionale (innerhalb einer Kette) und dreidimensionale antiferromagnetische Ordnung wird bei tiefen Temperaturen, abhängig vom Abstand U3+—U3+, beobachtet. Absorptionsspektren wurden zwischen 4000 und 28000 cm-1 aufgenommen. Sie zeigen die für U3+ charakteristischen Übergänge und, abhängig vom Halogenid, sehr starke f - d Übergänge oberhalb 14000 bzw. 15000 cm-1.
    Notes: The ternary uranium(III) halides A2UX5 (A = K, Rb; X = Cl, Br, I) have been prepared from the binary components AX and UX3 in sealed tantalum containers. According to their Guinier X-ray powder patterns, they all crystallize with the K2PrCl5/Y2HfS5 type of structure. Lattice constants for ambient temperature are reported. Single-crystal structure refinemens were undertaken for K2UI5 and Rb2UCl5. Magnetic susceptibility data were recorded with a SQUID magnetometer from liquid helium to room temperature. One-dimensional (intrachain) and three-dimensional antiferromagnetic ordering occur at low temperatures dependent upon the U3+—U3+ distance. Absorption spectra were recorded between 4 000 and 28 000 cm-1. They show f - f transitions typical for U3+ and, depending on the halide, very strong f - d transitions above 14 000 to 15 000 cm-1, respectively.
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  • 62
    Electronic Resource
    Electronic Resource
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 620 (1994), S. 1346-1350 
    ISSN: 0044-2313
    Keywords: Sodium orthoplumbate ; preparation ; crystal structure ; MAPLE and CHARDI calculations ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Na4[PbO4]  -  Preparation of new Plumbates(IV) by Oxidizing Intermetallic PhasesBy oxidizing NaPb with Na2O2 (molar ratio Na2O2:NaPb = 2.04:1; Ag-tubes; 600°C/50d) we obtained for the first time small orange coloured single crystals of Na4[PbO4]: Na4[SiO4]-type [2], P—1 (I.T. No. 2) with a = 898.5(3); b = 675.6(3); c = 592.2(2) pm; α = 124.75(1)°; β = 96.75(1)°; γ = 100.18(2)°; Z = 2; (four circle diffractometer data (MoKα-; 3 251 Io(hkl); R = 3.4%; Rw = 3.0%), parameters see text. Furthermore the Madelung part of lattice energy (MAPLE), effective coordination numbers (ECoN), mean fictive ionic radii (MEFIR) and the charge distribution (CHARDI) are being calculated.
    Notes: Durch Oxydation von NaPb mit Na2O2 (mol. Verhältnis Na2O2:NaPb = 2,04:1; Ag-Bömbchen; 600°C/50d) wurden erstmals orangefarbene, gedrungene Einkristalle von Na4[PbO4] erhalten: Na4[SiO4]-Typ [2], P—1 (I.T. No. 2) mit a = 898,5(3); b = 675,6(3); c = 592,2(2) pm; α = 124,75(1)°; β = 96,75(1)°; γ = 100,18(2)°; Z = 2; (Vierkreisdiffraktometerdaten; MoKα-; 3 251 Iohkl); R = 3,4%; Rw = 3,0%), Parameter siehe Text. Ferner werden der Madelunganteil der Gitterenergie (MAPLE), Effektive Koordinationszahlen (ECoN), Mittlere Fiktive Ionenradien (MEFIR) und die Ladungsverteilung (CHARDI) berechnet.
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  • 63
    Electronic Resource
    Electronic Resource
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 620 (1994), S. 2088-2098 
    ISSN: 0044-2313
    Keywords: Fluorenyl gallates ; Fluorenyl indates ; synthesis ; crystal structure ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Synthesis and Characterization of Fluorenyl Gallates and Fluorenyl IndatesGaCl3 reacts with Fluorenyllithium (LiFl) in the ratio 1:4 in Et2O to [Li(THF)4][GaFl4] (1). The addition of DME (1,2-dimethoxyethane) to solutions of 1 in THF leads to [Li(DME)3][GaFl4] (2) under replacement of THF molecules by DME molecules in the coordination sphere of the Li+ ions.Treatment of InCl with LiFl in Et2O and recrystallization from THF gives [Li(THF)4][ClInFl3] (3), which is formed by an disproportionation reaction. 3 can also be obtained by the reaction of InCl with FlZnCl/LiCl in Et2O and recrystallization from THF.1 and 2 crystallize from THF and THF/DME as [Li(THF)4][GaFl4] · THF (1 · THF) and [Li(DME)3][GaFl4] · THF (2 · THF), respectively. Crystalline 3 is isolated from the reaction of InCl and FlZnCl/LiCl, while the reaction mixture of InCl and LiFl gives after recrystallization in THF 3 · 1,5 THF. The gallate ions in 1 and 2 differ mainly in the position of the fluorenyl ligands. The unit cells of 3 and 3 · 1,5 THF contain two crystallographic unique ion pairs of [Li(THF)4][ClInFl3].
    Notes: GaCl3 reagiert mit Fluorenyllithium (LiFl)Fl = Fluorenyl im Molverhältnis 1:4 in THF zu [Li(THF)4][GaFl4] (1). Durch Zugabe von DME (1,2-Dimethoxyethan) zu Lösungen von 1 in THF werden die THF-Moleküle aus der Koordinationssphäre der Li+-Ionen verdrängt, was zu [Li(DME)3][GaFl4] (2) führt.Bei Einwirkung von LiFl auf InCl in Et2O wird nach einer Disproportionierungsreaktion und Umkristallisieren in THF [Li(THF)4][ClInFl3] (3) gebildet. 3 kann ebenfalls durch die Umsetzung von InCl mit FlZnCl/LiCl in Et2O und Umkristallisieren aus THF erhalten werden.1 kristallisiert aus THF in Form von [Li(THF)4][GaCl4] · THF (1 · THF) und 2 aus THF/DME in Form von [Li(DME)3][GaFl4] · THF (2 · THF). Kristallines 3 wird aus der Reaktion von InCl und FlZnCl/LiCl isoliert, während die Reaktionsmischung von InCl und LiFl nach Umkristallisieren aus THF 3 · 1,5 THF liefert. Die Anionen in 1 · THF und 2 · THF unterscheiden sich nach den Ergebnissen der Röntgenstrukturanalysen hauptsächlich durch die Stellung der Fl-Liganden in den Gallat-Ionen. 3 und 3 · 1,5 THF enthalten zwei kristallographisch unabhängige Ionenpaare [Li(THF)4] · [ClInFl3] in der Elementarzelle.
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  • 64
    ISSN: 0044-2313
    Keywords: Cyclohepta-2,4,6-trienyl compounds ; synthesis ; crystal structure ; NMR spectroscopy ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Tri(1-cyclohepta-2,4,6-trienyl)phosphane, P(C7H7)3, and Tetra(1-cyclohepta-2,4,6-trienyl)phosphonium Tetrafluoroborate, [P(C7H7)4]BF4The reaction of tris(trimethylsilyl)phosphane, P(SiMe3)3, with tropylium bromide, C7H7+Br-, in polar solvents such as dichloromethane or tetrahydrofuran gives P(C7H7)3 (1) and [P(C7H7)4]Br (2a). According to the X-ray crystallographic structure determinations, all 1-cyclohepta-2,4,6-trienyl substituents are present in the boat conformation in both P(C7H7)3 (1) and the phosphonium salt, [P(C7H7)4]BF4 (2b). The boat-shaped C7H7 rings are significantly more flattened if the phosphorus occupies the axial rather than the equatorial position at the ring substituent.Addition of a chalcogen to the lone pair at the central phosphorus atom of 1 leads to the chalcogena-phosphoranes EP(C7H7)3 (E = O (3a), S (3b), Se (3c)). The new 1-cyclohepta-2,4,6-trienyl-phosphorus compounds 1, 2 b and 3a-c were characterized by their 1H, 13C, and 31P NMR spectra in C6D6 solution.
    Notes: Die Umsetzung von Tris(trimethylsilyl)phosphan, P(SiMe3)3, mit Tropyliumbromid, C7H7+Br-, in polaren Solvenzien wie Dichlormethan oder Tetrahydrofuran ergibt P(C7H7)3 (1) und [P(C7H7)4]Br (2a). Nach den Kristallstruktur-Bestimmungen liegen alle 1-Cyclohepta-2,4,6-trienyl-Substituenten sowohl in P(C7H7)3 (1) als auch im Phosphoniumsalz [P(C7H7)4]BF4 (2b) in der Wannen-Konformation vor. Die wannenförmigen C7H7-Ringe sind deutlich stärker abgeflacht, wenn Phosphor die axiale anstelle der äquatorialen Position am Ringsubstituenten einnimmt.Addition eines Chalkogens an das freie Elektronenpaar am zentralen Phosphoratom führt zu den Chalkogena-phosphoranen EP(C7H7)3 (E = O (3a), S (3b), Se (3c)). Die neuen 1-Cyclohepta-2,4,6-trienyl-Phosphorverbindungen 1, 2 b und 3a-c wurden anhand ihrer 1H-, 13C- und 31P-NMR-Spektren in C6D6-Lösung charakterisiert.
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  • 65
    Electronic Resource
    Electronic Resource
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 620 (1994), S. 1832-1836 
    ISSN: 0044-2313
    Keywords: Phosphorus selenide ; 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 the First Polymeric Phosphorus Selenide catena-(P4Se4)xCatena-(P4Se4)x was prepared in crystalline form from the elements using iodine as a catalyst, and characterized by means of X-ray diffraction and IR spectroscopy. Single-crystal investigations (space group P21/c, a = 1 119.2(3), b = 728.2(2), c = 1 142.5(3) pm, β = 115.91(2)°, V = 837.5(7) · 106 pm3) revealed parallel chains of P4Se3 hetero-norbornane units linked via Se atoms. Thus, being the first phosphorus selenide which does not contain discrete molecules, catena-(P4Se4)x can be regarded as a polymeric form of α-P4Se4 or as a crystalline modification of vitrous phosphorus selenide.
    Notes: Catena-(P4Se4)x wurde aus den Elementen unter dem katalytischen Einfluß von Iod in kristalliner Form dargestellt. Die Charakterisierung erfolgte röntgenographisch sowie IR-spektroskopisch. Nach einer Strukturbestimmung an einem Einkristall (Raumgruppe P21/c, a = 1 119,2(3), b = 728,2(2), c = 1 142,5(3) pm, β = 115,91(2)°, V = 837,5(7) · 106 pm3) liegen darin parallele Ketten Se-verbrückter P4Se3-hetero-Norbornan-Einheiten vor. Als erstes nicht aus diskreten Molekülen aufgebautes Phosphorselenid kann catena-(P4Se4)x sowohl als polymerisierte Form des α-P4Se4 wie auch als kristalline Modifikation eines Phosphoreselenidglases aufgefaßt werden.
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  • 66
    Electronic Resource
    Electronic Resource
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 620 (1994), S. 1850-1854 
    ISSN: 0044-2313
    Keywords: Copper Terbium tungstate ; crystal structure ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: On a Modified Form of the β-CuNdW2O8 Type: γ-CuTbW2O8Single crystals of γ-CuTbW2O8 were prepared by flux in closed copper tubes. X-ray investigations show triclinic symmetry, space group Ci1-P1, with a = 6.722, b = 9.831, c = 15.352 Å, α = 72.82, β = 88.53, γ = 71.76°, Z = 6. γ-CuTbW2O8 is closely related to β-CuNdW2O8. One significant difference can be seen in an alternate staggered location of Tb3+ ions along [110].
    Notes: Einkristalle von γ-CuTbW2O8 wurden in geschlossenen Kupferampullen dargestellt und röntgenographisch untersucht. γ-CuTbW2O8 kristallisiert mit trikliner Symmetrie, Raumgruppe Ci1-P1, a = 6,722, b = 9,831, c = 15,352 Å, α = 72,82, β = 88,53, γ = 71,76°, Z = 6 und zeigt enge Verwandtschaft zu β-CuNdW2O8. Signifikanter Unterschied ist eine abwechselnde Stapelung von Tb3+-Ionen längs [110].
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  • 67
    ISSN: 0044-2313
    Keywords: Bis(dimethylamino)boryl-tris(dimethylamino)silyl-tris(dimethylamino)titanylamin ; N,N′-Bis(tris(dimethylamino)-silyl)-1,1,3,3-tetrakis(dimethylamino)cyclobistitanazan, Trimethylsilyl-tris(dimethylamino)silyl-tris(dimethylamino)titanylamin ; Trimethylsilyl-tris(dimethylamino)-silylamin ; synthesis ; nmr spectra ; mass spectra ; crystal structure ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: N(B(NMe2)2)(Si(NMe2)3) (Ti(NMe2)3), [N(Si(NMe2)3)(Ti(NMe2)2)]2 und N(SiMe3)(Si(NMe2)3)(Ti(NMe2)3)  -  Synthesis and Characterization of New Molecular Single-source Precursors for Nitride and Carbonitride CeramicsSynthesis and spectroscopic data of the title compounds are reported. [N(Si(NMe2)3)(Ti(NMe2)2)]2 crystallizes in the space group P1, a = 8.406(7), b = 10.673(8), c = 10.872(6) Å, α = 68.45(4)°, β = 71.72(4)°, γ = 78.11(7)°, 2 877 diffractometer data (Fo ≥ 2σFo), R = 0.051. The compound is characterized by a planar four-membered Ti2N2-ring with exocyclic tris(dimethylamino)silyl substituents attached to the nitrogen atoms of the ring.
    Notes: Darstellung, kernresonanz- und massenspektroskopische Daten der Titelverbindungen werden mitgeteilt. [N(Si(NMe2)3)(Ti(NMe2)2)]2 kristallisiert in der Raumgruppe P1 mit den Gitterkonstanten a = 8,406(7), b = 10,673(8), c = 10,872(6) Å, α = 68,45(4)°, β = 71,72(4)°, γ = 78,11(7)°. 2 877 Diffraktometerdaten (Fo ≥ 2σFo), R = 0,051. Die Verbindung besitzt einen planaren Ti2N2-Vierring mit exocyclischen Tris(dimethylamino)silylsubstituenten an den Stickstoffatomen des Rings.
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  • 68
    Electronic Resource
    Electronic Resource
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 620 (1994), S. 467-470 
    ISSN: 0044-2313
    Keywords: MoSn2 ; crystal structure ; Pauli paramagnetism ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Das Molybdän-Stannid MoSn2Die Titelverbindung wurde durch Tempern von Molybdän-Pulver mit einem Überschuß von Zinn hergestellt. Einkristalle wurden durch Auflösen der zinnreichen Matrix in Salzsäure erhalten. Sie sind Pauli-paramagnetisch. Die Kristallstruktur wurde aus Einkristall-Röntgen-Diffraktometer-Daten bestimmt: P6222, a = 548,8(1) pm, c = 1417,1(2) pm, Z = 6, R = 0,036 für 18 variable Parameter und 389 Strukturfaktoren. MoSn2 ist erst der zweite Vertreter der hexagonalen Mg2Ni-Struktur. Die Beziehung der Struktur zum CuAl2-Typ wird diskutiert.
    Notes: The title compound was prepared by annealing molybdenum powder with an excess of tin. Single-crystals were obtained by dissolving the tin-rich matrix in hydrochloric acid. They are Pauli paramagnetic. The crystal structure was determined from single-crystal X-ray diffractometer data: P6222, a = 548.8(1) pm, c = 1417.1(2) pm, Z = 6, R = 0.036 for 18 variable parameters and 389 structure factors. MoSn2 is only the second representative of the hexagonal Mg2Ni-type structure. The relation of the structure to the CuAl2-type is discussed.
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  • 69
    Electronic Resource
    Electronic Resource
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 620 (1994), S. 457-466 
    ISSN: 0044-2313
    Keywords: Organomolybdenum-bismuth halide complexes ; preparation ; crystal structure ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Untersuchungen zur Synthese und Struktur von Organomolybdän-Bismuthalogenid-KomplexenDie Reaktionen von BiBr2Ph mit Na/K[Mo(CO)3(η—C5H5)], von [BiPh{Mo(CO)3(η—C5H5)}2] mit BiBr2Ph oder BiBr3 und BiPh3 mit [Bi{Mo(CO)3(η—C5H5)}3] ergeben den Komplex [BiBrPh{Mo(CO)3(η—C5H5)}] 1, der röntgenographisch charakterisiert worden ist. Der Komplex 1 besteht aus einem Bismutzentrum mit einem Bromatom, einer Phenylgruppe und einer Mo(CO)3(η—C5H5)-Einheit. Eine intermolekulare Wechselwirkung besteht zum Bromatom eines benachbarten Moleküls, wodurch sich eine eindimensionale polymere Struktur ergibt. Bei der Umsetzung mit einer Bromidabgebenden Verbindung wird zunächst der anionische Komplex [BiBr2Ph{Mo(CO)3(η—C5H5)}2]- 3- und bei längerer Reaktion [BiBr2{Mo(CO)3(η—C5H5)}2]- 5- gebildet, das als [Ph4P]+-Salz röntgenographisch charakterisiert wurde. Der Komplex 5-, der am Bi zwei Br und zwei Mo(CO)3(η—C5H5)-Einheiten enthält, liegt in einer Struktur zwischen unvollständig trigonal-pyramidal und tetraedrisch vor. Der Komplex [PPN]2[Bi2Cl6{Mo(CO)3(η—C5H5)}2] 8 wurde ebenfalls dargestellt und röntgenographisch charakterisiert. Es liegt ein dimeres Anion vor, das aus zwei quadratischen Pyramiden mit einer gemeinsamen Kante besteht, in denen die Chloratome in der Basisebene und die zwei Mo(CO)3(η—C5H5)-Einheiten sich an den Spitzen in gegenüberliegenden Positionen befinden.
    Notes: The reactions between either BiBr2Ph and Na/K[Mo(CO)3(η—C5H5)], [BiPh{Mo(CO)3(η—C5H5)}2] and BiBr2Ph, or BiBr3 and BiPh3 and [Bi{Mo(CO)3(η—C5H5)}3] afford the complex [BiBrPh{Mo(CO)3(η—C5H5)}] 1 which has been characterised by X-ray crystallography. Complex 1 comprises a bismuth centre bonded to a bromine atom, a phenyl group and a Mo(CO)3(η—C5H5) fragment together with a longer secondary intermolecular interaction between a bromine from an adjacent molecule which results in a one-dimensional polymeric structure. Addition of a source of bromide anion to 1 affords the anionic complex [BiBr2Ph{Mo(CO)3(η—C5H5)}]- 3- although prolonged reaction results in the complex [BiBr2{Mo(CO)3(η—C5H5)}2]- 5- which was characterised by X-ray crystallography as its [Ph4P]+ salt. Complex 5- comprises a mononuclear bismuth centre bonded to two bromine atoms and two Mo(CO)3(η—C5H5) fragments in a geometry which lies between equatorially vacant trigonal bipyramidal and tetrahedral. The complex [PPN]2[Bi2Cl6{Mo(CO)3(η—C5H5)}2] 8 has also been synthesised and characterised by X-ray crystallography. A dimeric dianion is observed which can be viewed as two edge-shared square-based pyramids with chlorine atoms in the basal planes and Mo(CO)3(η—C5H5) fragments in the apical positions on opposite sides of the Bi2Cl6 plane.
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  • 70
    Electronic Resource
    Electronic Resource
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 620 (1994), S. 1351-1356 
    ISSN: 0044-2313
    Keywords: Silicate-chloride ; crystal structure ; europium ; lithium ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Two New Silicate-Chlorides with Divalent Europium: LiEu3[SiO4]Cl3 and Li7Eu8[SiO4]4Cl7LiEu3[SiO4]Cl3 was prepared by reaction of LiCl with Eu2SiO4 and Li7Eu8[SiO4]4Cl7 from Li with Eu2O3, SiO2 and LiCl. The crystal structures of LiEu3[SiO4]Cl3 (Pmna, a = 946.95(13); b = 699.52(8); c = 1 368.0(2) pm; Z = 4; R1 = 0.0325, R2w = 0.0642) and Li7Eu8[SiO4]4Cl7 (P21/c; a = 851.85(5); b = 948.62(7); c = 1 679.0(2) pm; β = 96.221(8)°; Z = 2; R1 = 0.0352, R2w = 0.0744) were determined from four-circle diffractometer data. LiEu3[SiO4]Cl3 contains [Li(SiO4)2] units and LiCl6 octahedra while in Li7Eu8[SiO4]4Cl7 larger „lithosilicate“ groups are found. In both structures, the Eu2+ ions are coordinated mostly eightfold by O2- and Cl- ligands.
    Notes: LiEu3[SiO4]Cl3 wurde durch Umsetzung von LiCl mit Eu2SiO4 dargestellt, Li7Eu8[SiO4]4Cl7 durch Umsetzung von Li mit Eu2O3, SiO2 und LiCl. Die Kristallstrukturen von LiEu3[SiO4]Cl3 (Pmna, a = 946,95(13); b = 699,52(8); c = 1 368,0(2) pm; Z = 4; R1 = 0,0325, R2w = 0,0642) und Li7Eu8[SiO4]4Cl7 (P21/c; a = 851,85(5); b = 948,62(7); c = 1 679,0(2) pm; β = 96,221(8)°; Z = 2; R1 = 0,0352, R2w = 0,0744) wurden aus Einkristall-Vierkreisdiffraktometer-Daten bestimmt. LiEu3[SiO4]Cl3 enthält [Li(SiO4)2]-Einheiten neben LiCl6-Oktaedern, während in Li7Eu8[SiO4]4Cl7 größere „Lithosilicat“-Baugruppen vorliegen. Die Eu2+-Ionen sind in beiden Strukturen meist achtfach von O2-- und Cl--Liganden koordiniert.
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  • 71
    ISSN: 0044-2313
    Keywords: Tetramethyltitanium-1,2-bis(dimethylphosphino)-ethane ; NMR data ; crystal structure ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Contributions to the Chemistry of Transition Metal Alkyl Compounds. 61. Preparation and Crystal Structure of Tetramethyltitanium-1,2-bis(dimethylphosphino)ethaneThe title complex 1 was synthesized by addition of 1,2-bis(dimethylphosphino)ethane to a solution of tetramethyltitanium in diethylether. The complex was characterized by 1H, 13C and 31P NMR spectra and by X-ray crystal structure analysis. 1 consists of two independent molecules with distorted octahedral structure.
    Notes: Der Titelkomplex 1 wurde durch Addition von 1,2-Bis(dimethylphosphino)ethan an Tetramethyltitan in Diethylether erhalten. Der Komplex wurde 1H-, 13C- und 31P-NMR-spektroskopisch, sowie durch Röntgenkristallstruktur-analyse charakterisiert. 1 tritt in der Elementarzelle in zwei unabhängigen Molekülen mit verzerrt oktaedrischer Konstitution auf.
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  • 72
    Electronic Resource
    Electronic Resource
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 620 (1994), S. 535-538 
    ISSN: 0044-2313
    Keywords: Sodium tetraoxo nitrido tungstate(VI) ; 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 Sodium Tetraoxo Nitrido Tungstate(VI), Na5WO4NColourless crystals of Na5WO4N are obtained besides Na4WO2N2 [1] by the reaction of WO3 with NaNH2 (15:1) at 350°C ≥ T ≥ 750°C in autoclaves to prevent early decomposition of sodium amide. X-ray single crystal investigations are characterized by the following data:Na5WO4N: Cmc21 (No. 36), Z = 4a = 9.873(2) Å, b = 5.769(1) Å, c = 10.648(2) ÅZ(F2o)≥ 3σ(F2o) = 2182, Z(Var.) = 55, R/Rw = 0.029/0.039The structure contains the tetragonal pyramidal ion WO4N5- with nitrogen at the apex connected via Na+ ions irregularly coordinated by one nitrogen and four oxygen atoms of different anions.
    Notes: Farblose Kristalle von Na5WO4N entstehen neben Na4WO2N2 [1] bei der Umsetzung von WO3 mit NaNH2 (15:1) bei 350°C ≥ T ≥ 750°C in Autoklaven, die eine frühzeitige Zersetzung von Natriumamid verhindern. Die röntgenographische Strukturbestimmung an Einkristallen ist durch folgende Daten charakterisiert:Na5WO4N: Cmc21 (Nr. 36), Z = 4a = 9,873(2) Å, b = 5,769(1) Å, c = 10,648(2) ÅZ(F2o) ≥ 3σ(F2o) = 2182, Z(Var.) = 55, R/Rw = 0,029/0,039Die Struktur enthält das tetragonal pyramidale Ion WO4N5 mit Stickstoff in apikaler Position. Die Anionen sind durch Na+-Ionen verknüpft, die unregelmäßig von einem N- und vier O-Atomen unterschiedlicher Anionen koordiniert sind.
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  • 73
    Electronic Resource
    Electronic Resource
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 620 (1994), S. 527-530 
    ISSN: 0044-2313
    Keywords: Barium ; rare earth ; zinc ; oxide ; crystal structure ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: On the Crystal Chemistry of a New Barium Rare-Earth Oxozincate: Ba2Er2Zn8O13High temperature reactions led to single crystals of Ba2Er2Zn8O13. It crystallizes with orthorhombic symmetry, space group C122v—Cmc21, a = 6.276, b = 10.871, c = 10.195 Å, Z = 2. The hitherto unknown crystal structure shows Zn2+ with tetrahedral, Er3+ octahedral and Ba2+ cuboctahedral coordination by O2-. It will be shown that parts of the [Zn8O13] network are fragments of the ZnO structure showing O2- within a tetrahedral zinc coordination. A deficit of two O2- ions per unit cell is focused on two point positions.
    Notes: Durch Hochtemperaturreaktionen wurden Einkristalle von Ba2Er2Zn8O13 dargestellt und anschließend röntgenographisch untersucht. Die Verbindung kristallisiert in einem neuen Strukturtyp mit orthorhombischer Symmetrie, Raumgruppe C122v—Cmc21; a = 6,276; b = 10,871; c = 10,195 Å; Z = 2. Die bisher unbekannte Kristallstruktur zeigt Zn2+ in tetraedrischer, Er3+ in oktaedrischer und Ba2+ in kuboktaedrischer Koordination von O2-. Es wird gezeigt, daß das [Zn8O13]-Gerüst Fragmente der ZnO-Struktur mit O2- in tetraedrischer Zinkkoordination enthält. Ein Defizit von zwei O2 pro Elementarzelle verteilt sich auf zwei Punktlagen.
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  • 74
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    Electronic Resource
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 620 (1994), S. 703-706 
    ISSN: 0044-2313
    Keywords: SmIII dimeric complex ; synthesis ; crystal structure ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: On the Reaction of Dilithiumbiphenyl with SmBr3. The Crystal Structure of [(C24H16)SmBr(thf)2]2 · [C24H14]In THF SmBr3 forms with [(biph)Li2] the dimeric complex [(quaph)SmBr(thf)2]2 · [C24H14]. The structure was characterized by X-ray single crystal structure analysis (space group P1 (No. 2), Z = 1, a = 943.3(6) pm, b = 1 350.3(1) pm, c = 1 599.9(9) pm, α = 64.99(5)°, β = 89.02(5)°, γ = 73.02(6)°). The Sm iones are bridged by two Br iones. Coordination by one quaph and THF ligands leads to distorded octahedra coordination of the Sm iones. Additionally crystallizes one molecule dibenzonaphthacene.
    Notes: SmBr3 reagiert mit [(biph)Li2] in THF zu dem zweikernigen Komplex [(quaph)SmBr(thf)2]2 · [C24H14]. Der Aufbau konnte durch eine Kristallstrukturanalyse geklärt werden (Raumgruppe P1 (Nr. 2), Z = 1, a = 943,3(6) pm, b = 1 350,3(1) pm, c = 1 599,9(9) pm, α = 64,99(5)°, β = 89,02(5)°, γ = 73,02(6)°). Die Sm-Ionen werden durch zwei Br-Ionen verbrückt. Durch zusätzliche Koordination eines quaph- und zweier THF-Liganden ist jedes Sm-Ion verzerrt oktaedrisch koordiniert. Zusätzlich kristallisiert ein Molekül Dibenzonaphthacen mit aus.
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  • 75
    Electronic Resource
    Electronic Resource
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 620 (1994), S. 723-729 
    ISSN: 0044-2313
    Keywords: Dimethyltin dithiosquarate benzene solvate ; Dimethyltin dithiosquarate-dimethylsulfoxide adduct ; crystal structure ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Dimethyltin Dithiosquarate: The Crystal Structure of the Benzene Solvate and of the Dimethylsulfoxide Adduct(CH3)2SnS2C4O2 · 1/3 C6H6 (I) crystallizes in the orthorhombic space group Pnma. a = 14.393(2), b = 21.668(3), c = 10.424(1) Å, Z = 12.(CH3)2SnS2C4O2 · (CH3)2SO (II) is monoclinic, space group P21/n, a = 9.918(5), b = 12.028(6), c = 12.223(6) Å, β = 108.82(3)°, Z = 4.In I there are two independent dimethyltin dithiosquarate molecules. But in both molecules the Sn atoms display weak coordinative bonds to two O atoms of adjacent dithiosquarate groups. The distances amount 2.873 Å (2×), resp. 2.678 and 2.831 Å. The coordination number of tin becomes 6 and the structure gets connected in three dimensions.In II dimethylsulfoxide is bound with the O atom to Sn (2.345 Å) and the result is a distorted trigonal bipyramid. There a more distant O atom (2.944 Å) leads to a connection of the molecules to a ribbon. The changes of the geometrical parameters are described, which result from the progressive approach of the one O atom.
    Notes: (CH3)2SnS2C4O2 · 1/3 C6H6 (I) kristallisiert in der orthorhombischen Raumgruppe Pnma; a = 14,393(2); b = 21,668(3); c = 10,424(1) Å; Z = 12.(CH3)2SnS2C4O2 · (CH3)2SO (II) ist monoklin, Raumgruppe P21/n; a = 9,918(5); b = 12,028(6); c = 12,223(6) Å; β = 108,82(3)°; Z = 4.In I liegen zwei kristallographisch unabhängige Dimethyl-zinndithioquadratat-Moleküle vor. Bei beiden weisen jedoch die Sn-Atome schwache koordinative Bindungen zu zwei O-Atomen benachbarter Dithioquadratat-Gruppen auf. Die Abstände betragen 2,873 Å (2×) bzw. 2,678 und 2,831 Å. Dadurch erhält Zinn die Koordinationszahl 6, und es ergibt sich eine dreidimensional vernetzte Struktur.In II ist Dimethylsulfoxid über das O-Atom an Sn gebunden (2,345 Å), und es liegt eine verzerrte trigonale Bipyramide vor. Ein weiter entferntes O-Atom (2,944 Å) bewirkt hier die Vernetzung der Moleküle zu einem Band. Die Veränderungen der geometrischen Parameter als Folge der fortschreitenden Annäherung des einen O-Atoms werden beschrieben.
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  • 76
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    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 620 (1994), S. 733-736 
    ISSN: 0044-2313
    Keywords: Manganese(II) oxotungstate ; crystal structure ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: On a New Manganese(II) Oxotungstate: Mn3WO6Single crystals of Mn3WO6 were prepared by CO2-LASER technique in H2-atmosphere and investigated by single crystal X-ray work. It crystallizes with rhombohedral symmetry, space group C3i2—R3 with the hexagonal lattice constants a = 8.8931 Å; c = 10.4782 Å and Z = 6. Mn3WO6 is isotypic to Mg3TeO6 and α-Ca3UO6 and characterized by to each other isolated WO6 octahedra. The surrounding of them by six inner-sphere and six outer-sphere MnO6 polyhedra is discussed.
    Notes: Mn3WO6 wurde mit CO2-LASER-Technik in H2-Atmosphäre einkristallin dargestellt und röntgenographisch untersucht. Es kristallisiert rhomboedrisch in der Raumgruppe C3i2—R3 mit a = 8,8931 Å; c = 10,4782 Å und Z = 6. Mn3WO6 ist isotyp zu Mg3TeO6 und α-Ca3UO6 und durch isolierte Oktaeder WO6 ausgezeichnet. Deren Umgebung durch sechs Polyeder MnO6 in „innerer“ und sechs weiterer in äußerer Sphäre wird diskutiert.
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  • 77
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    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 620 (1994), S. 737-742 
    ISSN: 0044-2313
    Keywords: Indium ; tris(N,N-diethyl-N′-benzoylselenoureato)indium(III) ; preparation ; crystal structure ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: The Crystal Structure of Tris(N,N-Diethyl-N′-benzoylselenoureato)indium(III)In(C12H15N2OSe)3 crystallizes in the monoclinic space group P21/c. The cell parameters are a = 11.792(2), b = 36.797(4), c = 18.574(2) Å, β = 92.15(2)° and Z = 4. The structure was solved with Patterson and direct methods and was refined to a final R-value of 3.41%. The asymmetric unit contains two complex molecules. The indium atoms are bidentally coordinated by three N,N-Diethyl-N′-benzoylselenourea molecules to form distorted octahedra with facial arrangement of the selenium and oxygen donor atoms. The chelate rings diverge strongly from planarity. The In—Se bond lengths vary from 2.643(1) to 2.657(1) Å, the In—O bond lengths from 2.179(4) to 2.203(4) Å, respectively.
    Notes: In(C12H15N2OSe)3 kristallisiert in der monoklinen Raumgruppe P21/c mit den Gitterkonstanten a = 11,792(2), b = 36,797(4), c = 18,574(2) Å, β = 92,15(2)°, Z = 4. Die Struktur wurde mit Patterson und Direkten Methoden gelöst und bis zu einem R-Wert von 3,41% verfeinert. In der asymmetrischen Einheit befinden sich zwei In(C12H15N2OSe)3-Komplexmoleküle. Jeweils drei N,N-Diethyl-N′-benzoylseleno-harnstoff-Moleküle sind bidental über Selen- und Sauerstoffatome an die Zentralatome koordiniert. Das Koordinationspolyeder ist ein verzerrter Oktaeder mit facialer Anordnung der Donoratome. Die Chelatringe weichen deutlich von der Planarität ab. Die In—Se-Abstände in den beiden Oktaedern liegen zwischen 2,643(1) und 2,657(1) Å, die In—O-Abstände variieren von 2,179(4) bis 2,203(4) Å.
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  • 78
    ISSN: 0044-2313
    Keywords: Silicate hydrate ; 1,1,4,4-tetramethylpiperazinium ; 1,4-dimethyl-1,4-diazoniabicyclo[2.2.2]octane ; 1,1-dimethylpiperidinium ; clathrate ; crystal structure ; double four-ring silicate anion ; hydrogen bonding ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: [TMPA]4[Si8O20] · 34 H2O und [DDBO]4[Si8O20] · 32 H2O sind Heteronetzwerk-Clathrate mit 1,1,4,4-Tetramethylpiperazinium (TMPA) und 1,4-Dimethyl-1,4-Diazoniabicyclo[2.2.2]octan (DDBO) Gastkationen[TMPA]4[Si8O20] · 34 H2O (1) und [DDBO]4[Si8O20] · 32 H2O (2) wurden durch Kristallisation aus wäßrigen Lösungen der entsprechenden quartären Alkylammoniumhydroxide und SiO2 erhalten. Die Kristallstrukturen wurden mittels Einkristallröntgenbeugung bestimmt. 1: Monoklin, a = 16,056(2), b = 22,086(6), c = 22,701(2) Å, β = 90,57(1)° (T = 210 K), Raumgruppe C2/c, Z = 4. 2: Monoklin, a = 14,828(9), b = 20,201(7), c = 15,519(5) Å, β = 124,13(4)° (T = 255 K), Raumgruppe P21/c, Z = 2. Die Polyhydrate sind strukturverwandte Wirt-Gast-Verbindungen mit dreidimensionalen Wirtstrukturen aus über Wasserstoffbrücken verknüpften oligomeren Anionen [Si8O20]8- und H2O-Molekülen. Die Silicat-Anionen haben eine würfelförmige Doppelvierring-Struktur und eine lokale Umgebung, die von 24 H2O-Molekülen und sechs Kationen (TMPA, [C8H20N2]2+, oder DDBO, [C8H18N2]2+) gebildet wird. Die Kationen befinden sich als Gastspezies in großen, unregelmäßigen, käfigartigen Hohlräumen. Untersuchungen mittels der 29Si-NMR-Spektroskopie und der Trimethylsilylierungsmethode haben gezeigt, daß die gesättigten Lösungen von 1 und 2 hohe Anteile an Doppelvierring-Anionen enthalten. Derartige Anionen sind auch in der gesättigten Lösung des Heteronetzwerk-Clathrats [DMPI]6[Si8O18(OH)2] · 48,5 H2O (3) mit 1,1-Dimethylpiperidinium-Kationen (DMPI, [C7H16N]+) als Gastspezies enthalten.
    Notes: [TMPA]4[Si8O20] · 34 H2O (1) and [DDBO]4[Si8O20] · 32 H2O (2) have been prepared by crystallization from aqueous solutions of the respective quaternary alkylammonium hydroxide and SiO2. The crystal structures have been determined by single-crystal X-ray diffraction. 1: Monoclinic, a = 16.056(2), b = 22.086(6), c = 22.701(2) Å, β = 90.57(1)° (T = 210 K), space group C2/c, Z = 4. 2: Monoclinic, a = 14.828(9), b = 20.201(7), c = 15.519(5) Å, β = 124.13(4)° (T = 255 K), space group P21/c, Z = 2. The polyhydrates are structurally related host-guest compounds with three-dimensional host frameworks composed of oligomeric [Si8O20]8- anions and H2O molecules which are linked via hydrogen bonds. The silicate anions possess a cube-shaped double four-ring structure and a characteristic local environment formed by 24 H2O molecules and six cations (TMPA, [C8H20N2]2+, or DDBO, [C8H18N2]2+). The cations themselves reside as guest species in large, irregular, cage-like voids. Studies employing 29Si NMR spectroscopy and the trimethylsilylation method have revealed that the saturated aqueous solutions of 1 and 2 contain high proportions of double four-ring silicate anions. Such anions are also abundant species in the saturated solution of the heteronetwork clathrate [DMPI]6[Si8O18(OH)2] · 48.5 H2O (3) with 1,1-dimethylpiperidinium (DMPI, [C7H16N]+) guest cations.
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  • 79
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    Zeitschrift für anorganische Chemie 620 (1994), S. 1175-1178 
    ISSN: 0044-2313
    Keywords: Titanium ; oxygen ; crystal structure ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: A New High Temperature Form of TiO: H—TiOSingle crystals of a high temperature form of TiO (H—TiO) were prepared above 3 000°C by CO2-LASER technique. They crystallize with a hitherto unobserved crystal structure of oxides with titanium in the oxidation state two, isotypic to tungsten carbide with Ti2+ in a trigonal prismatic surrounding by oxygen. Space group D3h1-P6m2, a = 3.0310, c = 3.2377 Å, Z = 1.
    Notes: Mit CO2-LASER-Technik wurden bei Temperaturen oberhalb 3 000°C Einkristalle einer Hochtemperaturform von TiO (H—TiO) dargestellt. Sie kristallisieren mit einer an Oxiden des zweiwertigen Titans bisher nicht beobachteten Kristallstruktur, isotyp zu Wolframcarbid, mit Ti2+ in trigonal prismatischer Sauerstoffumgebung. Raumgruppe D3h1—P6m2; a = 3,0310; c = 3,2377 Å; Z = 1.
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  • 80
    ISSN: 0044-2313
    Keywords: Sodium imido nitrido phosphate(V) ; preparation ; 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 Na10[P4(NH)6N4](NH2)6(NH3)0.5 with an Adamantane-like Anion [P4(NH)6N4]4-Crystals of Na10[P4(NH)6N4](NH2)6(NH3)0.5 were obtained by the reaction of P3N5 with NaNH2 (molar ratio 1:20) within 5 d at 600°C in autoclaves. The following data characterize X-ray investigations:Fm3m, Z = 8, a = 15.423(2) Å, Z(F02) = 261 with F02 ≥ 3 σ(F02) Z(Variables) = 27, R/Rw = 0.086/0.089The compound contains the hitherto unknown anion [P4(NH)6N4]4-, which resembles adamantane. The total structure can be described as follows: The centers of gravity of units of [Na8(NH2)6(NH3)]2+ - 8Na+ on the corners of a cube, 6NH2- on the ones of an inscribed octahedron with NH3 in the center - follow the motif of a cubic-closest packed arrangement. Units of [Na12(NH2)6]6+ - 12Na+ on the corners of a cuboctahedron and 6NH2- on the ones of an inscribed octahedron - occupy all octahedral and those of [P4(NH)6N4]4- all tetrahedral sites.
    Notes: Für eine Strukturbestimmung an Na10[P4(NH)6N4](NH2)6(NH3)0,5 geeignete Kristalle entstehen bei der Umsetzung von P3N5 mit NaNH2 (Molverhältnis 1:20) nach 5 d bei 600°C in Autoklaven. Folgende Daten charakterisieren röntgenographische Untersuchungen an der Verbindung:Fm3m, Z = 8, a = 15,423(2) Å, Z(F02) = 261 mit F02 ≥ 3 σ(F02) Z(Parameter) = 27, R/Rw = 0,086/0,089Die Verbindung enthält das bisher unbekannte Anion [P4(NH)6N4]4-, das adamantanartig aufgebaut ist. Die gesamte Struktur läßt sich folgendermaßen beschreiben: Die Schwerpunkte von Einheiten [Na8(NH2)6(NH3)]2+ - 8Na+ auf den Ecken eines Würfels, 6NH2- auf denen eines einbeschriebenen Oktaeders mit NH3 als Zentrum - bilden das Motiv einer kubisch dichtesten Kugelpackung. Diejenigen von Einheiten [Na12(NH2)6]6+ - 12 Na+ auf den Ecken eines Kuboktaeders und 6NH2- auf denen eines einbeschriebenen Oktaeders - besetzen darin alle Oktaederlücken und diejenigen von [P4(NH)6N4]4- alle Tetraederlücken.
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  • 81
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    Zeitschrift für anorganische Chemie 620 (1994), S. 977-980 
    ISSN: 0044-2313
    Keywords: Mercury(II) lead(II) oxide chloride ; synthesis ; crystal structure ; structural comparison ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: HgPb2O2Cl2, a “Perforated” Lead(II) OxideSingle crystals of HgPb2O2Cl2 were grown in a HgCl2 flux by reaction of PbO with HgCl2. Crystal structure analysis by single crystal X-ray methods were carried out. HgPb2O2Cl2 crystallizes monoclinic with a = 11.788(2) Å, b = 3.910(1) Å, c = 7.749(2) Å, β = 122.64(3)°, space group C2/m (No. 12) and Z = 2. HgPb2O2Cl2 is the first member of a new structure type, closely related to the structure of PbO.
    Notes: Einkristalle von HgPb2O2Cl2 wurden durch Umsetzung von PbO und HgCl2 in HgCl2-Schmelzen gezüchtet. An ihnen wurde der Aufbau mittels Einkristallröntgenstrukturanalyse bestimmt. HgPb2O2Cl2 kristallisiert monoklin mit a = 11,788(2) Å, b = 3,910(1) Å, c = 7,749(2) Å, β = 122,64(3)°, Raumgruppe C2/m (Nr. 12) und Z = 2. HgPb2O2Cl2 ist der erste Vertreter eines neuen Strukturtyps, der kristallchemisch von der Struktur von PbO ableitbar ist.
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  • 82
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    Electronic Resource
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 620 (1994), S. 1033-1036 
    ISSN: 0044-2313
    Keywords: Strontium, europium, beryllium, oxide ; crystal structure ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Eu3+ and Eu2+ in Oxides of the Composition MBeLn2O5: SrBeEu2O5 and EuBeNd2O5Single crystals of (I): SrBeEu2O5 and (II): EuBeNd2O5 were prepared by CO2-LASER (I) in air and plasma torch (II) technique in H2 atmosphere. X-ray investigations led to orthorhombic symmetry, space group D2h16-Pnma; (I): a = 9.488, b = 7.156, c = 6.495 Å; (II): a = 9.534, b = 7.225, c = 6.544 Å, Z = 4. Sr2+ and Eu3+ as well as Eu2+ and Nd3+ are in statistical distribution within a Kagomé framework. Both compounds are discussed with respect to the monoclinic form of MBeLn2O5.
    Notes: Einkristalle von (I): SrBeEu2O5 und (II): EuBeNd2O5 wurden mit CO2-LASER- bzw. Plasmabrennertechnik an Luft bzw. unter H2-Atmosphäre dargestellt. Die röntgenographische Untersuchung führte zu orthorhombischer Symmetrie, Raumgruppe D2h16-Pnma, mit (I): a = 9,488, b = 7,156, c = 6,495 Å; (II): a = 9,534, b = 7,225, c = 6,544 Å, Z = 4. Sr2+ und Eu3+ sowie Eu2+ und Nd3+ besetzen in einem Kagomégerüst die Metallpositionen statistisch. Beide Verbindungen werden mit Blick auf die monokline Form von MBeLn2O5 diskutiert.
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  • 83
    Electronic Resource
    Electronic Resource
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 620 (1994), S. 1191-1193 
    ISSN: 0044-2313
    Keywords: Aza-closo-decaborane ; NB9H10 ; synthesis ; crystal structure ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: The Crystal Structure of Aza-closo-decaborane, NB9H10Aza-closo-decaborane(10), NB9H10, crystallizes in the space group P21/n. The NB9 skeleton forms a distorted bicapped tetragonal antiprism with the N atom in a capping position. The structural data are compared to those of aza-closo-dodecaborane(12), NB11H12.
    Notes: Aza-closo-decaboran(10), NB9H10, kristallisiert in der Raumgruppe P21/n. Das NB9-Gerüst bildet ein verzerrtes zweifach überdachtes tetragonales Antiprisma mit dem N-Atom in axialer Position. Die Strukturdaten werden mit denen von Aza-closo-dodecaboran(12), NB11H12, verglichen.
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  • 84
    Electronic Resource
    Electronic Resource
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 620 (1994), S. 863-866 
    ISSN: 0044-2313
    Keywords: CsNb3Br7S ; synthesis ; crystal structure ; bonding ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: CsNb3Br7S: Synthesis, Structure, and Bonding StatesThe reaction of NbBr5 with Nb, Cs and S in a sealed Nb container affords CsNb3Br7S at 800°C (3 days). Further on isotypic compounds of the general formula ANb3X7Ch with A = Rb, Cs; X = Cl, Br and Ch = S, Se are obtained. CsNb3Br7S crystallizes monoclinic (space group P21/a, Z = 2), with the lattice parameters a = 707.4(2), b = 1 888.4(4), c = 994.1(2) pm and β = 98.59(2)°. The crystal structure contains Nb3 clusters being linked by two additional Nb—Nb bonds to form infinite chains. Adjacent chains are bridged by Cs atoms in a cubeoctahedral coordination sphere of Br atoms. Similar with Nb3Br8 seven electrons occupy metal - metal bonding states.
    Notes: Bei der Reaktion von NbBr5 mit Nb, Cs und S bildet sich im verschweißten Niobrohr bei 800°C (3 Tage) CsNb3Br7S. Ferner wurden isotype Verbindungen der allgemeinen Zusammensetzung ANb3X7Ch mit A = Rb, Cs; X = Cl, Br und Ch = S, Se erhalten. CsNb3Br7S kristallisiert monoklin (Raumgruppe P21/a, Z = 2) mit den Gitterparametern a = 707,4(2), b = 1 888,4(4), c = 994,1(2) pm und β = 98,59(2)°. In der Kristallstruktur liegen Nb3-Cluster vor, die durch zwei zusätzliche Nb—Nb-Bindungen zu unendlichen Strängen verknüpft sind. Cs-Atome verbrücken benachbarte Stränge und besitzen eine kuboktaedrische Koordinationssphäre aus Br-Atomen. Wie in Nb3Br8 besetzen formal sieben Elektronen Metall - Metall-bindende Zustände.
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  • 85
    ISSN: 0044-2313
    Keywords: Pentacalcium hexaphosphahypodiphosphate, Ca5P8 ; preparation ; crystal structure ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Pentacalcium Hexaphosphahypodiphosphate, Ca5P8, a Compound with Isolated Anions P810- in the Staggered Ethane ConformationCa5P8 is prepared from calcium and red phosphorus in a molar ratio 5:8 in argon atmosphere in corundum crucibles inserted in quartz ampullae (3.5 d 1 000°C). It is a red-brown powder which is hydrolyzed by moisture. Single crystals are formed from powder at 1 100°C within 60 d. Ca5P8 crystallizes in a new structure type (mC26) with isolated anions P810- in staggered conformation: C2/m (no. 12); a = 689.9(4) pm, b = 1 188,3(4) pm, c = 748.4(3) pm, β = 108.25(2)°, Z = 2; d425 = 2.56(1). Ca5P8 is the first compound containing polyphosphide anions with fourfold and single bonded phosphorus atoms (formally P+ and P2-, resp.). The cations Ca2+ are arranged in a distorted cubic close-packing. The centers of the polyphosphide anions replace in an ordered way one third of Ca2+ in every second layer. The terminal P atoms occupy all octahedral interstices, so that P810- is coordinated by 18 Ca2+ in form of a cuboctahedron with capped squaric faces.
    Notes: Ca5P8 wird aus Calcium und rotem Phosphor im Molverhältnis 5:8 in Korundinnentiegeln in Quarzampullen unter Argon (3,5 d 1 000°C) als rotbraunes hydrolyseempfindliches Pulver dargestellt. Einkristalle entstehen hieraus bei 1 100°C (60 d) im gleichen Tiegelmaterial. Die Verbindung kristallisiert in einem neuen Strukturtyp (mC26) mit isolierten Anionen P810- in gestaffelter Konformation: C2/m (Nr. 12); a = 689,9(4) pm, b = 1 188,3(4) pm, c = 748,4(3) pm, β = 108,25(2)°; Z = 2; d425 = 2,56(1). Ca5P8 ist die erste Verbindung mit Polyphosphid-Anionen, in denen vierbindige P-Atome (formal P+) neben einbindigen (formal P2-) vorliegen. Die Anordnung von Ca2+ entspricht einer deformierten kubisch dichtesten Kugelpackung. In jeder zweiten Ebene ist geordnet ein Drittel der Ca2+ durch das Zentrum von P810- ersetzt, deren endständige P-Atome alle Oktaederlücken besetzen, sodaß die Anionen von 18 Ca2+ in Form eines Kuboktaeders koordiniert sind, dessen quadratische Flächen überdacht sind.
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  • 86
    ISSN: 0044-2313
    Keywords: Gadolinium Iodide Carbide Nitride ; Gadolinium Bromide Carbide Nitride ; Yttrium Iodide Carbide Nitride ; Lanthanum Iodide Carbide Nitride ; preparation ; X-ray single crystal structure investigation ; crystal structure ; condensed cluster ; chain of condensed octahedra and double tetrahedra ; C—C single bond ; Gd6(C2) octahedron ; Gd6N2 double tetrahedron ; Y10(C2)2 double octahedron ; Y6N2 double tetrahedron ; α-Gd4I6CN, β-Gd4I6CN, Y6I9C2N, α-Gd4Br6CN, α-La4I6CN ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Gd4I6CN: A Carbide Nitride with Chains of Gd6(C2) Octahedra and Gd6N2 Double TetrahedraThe compound α-Gd4I6CN is prepared by reaction of Gd, GdI3, C, and GdN (1:2:1:1 mole ratio) at 1 170 K in sealed Ta tubes. It is obtained as brown red, transparent needles which are air and moisture sensitive. The structure of α-Gd4I6CN contains Gd6 octahedra centered by C2 groups and double tetrahedra centered by N atoms. The units are alternatingly connected via common edges to form chains (Gd2Gd4/2C2) (Gd2/2Gd2/2N)2 parallel [001]. The linear chains are surrounded by I atoms above all free edges of the metal polyhedra and linked according to (Gd2Gd4/2C2) (Gd2Gd4/2N2)I4/2I8I2 in the a - b plane.We also found β-Gd4I6CN, which is formed in a monotropic transition from the α-form. In the structure the chains of Gd octahedra and tetrahedra as described for α-Gd4I6CN are more densely packed.The structure of Y6I9C2N is composed by chains of pairs of Y-octahedra and Y-tetrahedra, respectively. The octahedra are centered by C2 groups, the tetrahedra by N-atoms.We also synthesized the compounds Gd4Br6CN und La4I6CN by tempering at 1 220 K. They are isotypic with α-Gd4I6CN.
    Notes: α-Gd4I6CN wird durch Reaktion von Gd, GdI3, C und GdN (Molverhältnis 1:2:1:1) bei 1 170 K im verschlossenen Ta-Tiegel erhalten. Es bildet braunrot durchscheinende Nadeln, die gegen Luft und Feuchtigkeit empfindlich sind. Die Struktur von α-Gd4I6CN enthält durch C2-Einheiten zentrierte Gd6-Oktaeder und Doppel aus N zentrierten Tetraedern, Gd6N2. Abwechselnd sind Oktaeder und Tetraederdoppel über gemeinsame Kanten zu Ketten (Gd2Gd4/2C2) (Gd2/2Gd2/2N)2 verknüpft, die parallel [001] ausgerichtet sind. Diese eindimensionalen Einheiten sind über allen freien Kanten durch Iodatome koordiniert und untereinander nach dem Schema (Gd2Gd4/2C2) · (Gd2Gd4/2N2)I4/2I8I2 in der a - b-Ebene verknüpft.Daneben existiert noch ein β-Gd4I6CN, das sich monotrop aus der α-Form bei 1 300 K bildet. Dessen Struktur zeichnet sich durch eine dichtere Packung der für die α-Form beschriebenen Gd-Oktaeder-Tetraederketten aus.In der Struktur von Y6I9C2N sind die Ketten aus Doppeln sowohl C2-zentrierter Oktaeder als auch N-zentrierter Tetraeder der Y-Atome aufgebaut.Weiter erhielten wir die mit α-Gd4I6CN isotypen Verbindungen Gd4Br6CN und La4I6CN durch Tempern der Ausgangsverbindungen bei 1 220 K.
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  • 87
    Electronic Resource
    Electronic Resource
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 620 (1994), S. 1023-1027 
    ISSN: 0044-2313
    Keywords: Dysprosium halide complexes ; crystal structure ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Cationic and Anionic Edge-Connected Dimers in [Dy2(dibenzo-18-crown-6)2Cl4][Dy2(CH3CN)2Cl8]. Synthesis and Crystal StructureColourless single crystals of 2 DyCl3 · dibenzo-18-crown-6 · CH3CN are obtained upon reaction of DyCl3 or KDy2Cl7 with dibenzo-18-crown-6-ether in acetonitrile. The crystal structure (triclinic, P1, Z = 2; a = 1 105.6(2); b = 1 144.5(3); c = 1 367.8(3); α = 93.46(1); β = 92.27(1); γ = 117.45(1); R = 0.046; Rw = 0.033) contains cationic and anionic edge-connected dimers according to [Dy2(dibenzo-18-crown-6)2Cl4]2+ [Dy2(CH3CN)2Cl8]2+ where Dy1 and Dy2 are coordinated by 3 and 5 chloride ions, respectively.
    Notes: Bei der Umsetzung von DyCl3 oder KDy2Cl7 mit Dibenzo-18-Krone-6-Ether in Acetonitril werden farblose Kristalle der Zusammensetzung 2 DyCl3 · Dibenzo-18-Krone-6 · CH3CN erhalten. Die Kristallstruktur (triklin, P1, Z = 2; a = 1 105,6(2); b = 1 144,5(3); c = 1 367,8(3); α = 93,46(1); β = 92,27(1); γ = 117,45(1); R = 0,046; Rw = 0,033) enthält kationische und anionische, jeweils kantenverknüpfte Dimere gemäß [Dy2(Dibenzo-18-Krone-6)2Cl4]2+ [Dy2(CH3CN)2Cl8]2+, in denen Dy1 und Dy2 gegenüber Cl- die Koordinationszahlen 3 bzw. 5 aufweisen.
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  • 88
    Electronic Resource
    Electronic Resource
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 620 (1994), S. 1051-1055 
    ISSN: 0044-2313
    Keywords: Copper cobalt borate oxide, Cu2Co(B2O5)O ; crystal structure ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: On a New Copper Cobalt Borate Oxide with Isolated B2O5 Units: Cu2Co(B2O5)OSingle crystals of a new compound with the empirical formula Cu2CoB2O6 were obtained by using a B2O3 flux technique. X-ray single crystal technique led to a new structure type. Cu2CoB2O6 crystallizes monoclinic, space group C2h5-P21/c (No. 14); a = 3.2250(6); b = 14.847(1); c = 9.1171(6) Å; β = 93.67°; Z = 4. All metal sites are octahedrally coordinated and form a two dimensional framework consisting of edge sharing octahedra ribbons. In addition one observes isolated B2O5-units and oxygen which is not coordinated to boron. The far relation to the crystal structure of the mineral Warwickite is illustrated.
    Notes: Unter Verwendung einer B2O3-Schmelze gelang die Synthese von Einkristallen einer Substanz mit der Summenformel Cu2CoB2O6, die einen eigenständigen, neuartigen Strukturtyp bildet. Sie kristallisiert in der Raumgruppe C2h5-P21/c (No. 14), a = 3,2250(6); b = 14,847(1); c = 9,1171(6) Å; β = 93,67(2)°; Z = 4. Die Metallkationen sind verzerrt oktaedrisch koordiniert und bilden durch Kantenverknüpfungen der Polyeder in zwei Richtungen ein Netzwerk aus Oktaederbändern. Die Struktur weist isolierte B2O5-Baugruppen auf und zudem Sauerstoff, der nicht an Bor gebunden ist. Eine entfernte Verwandtschaft zur Kristallstruktur des Minerals Warwickit wird aufgezeigt.
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  • 89
    Electronic Resource
    Electronic Resource
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 620 (1994), S. 1736-1740 
    ISSN: 0044-2313
    Keywords: Sodium amalgam, Na3Hg ; α - β phase change ; crystal structure ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Temperature Dependent Single Crystal Investigations of α-Na3HgIn contrast to β-Na3Hg (rhomboedrally distorted Li3Bi-type) α-Na3Hg crystallizes in a hitherto poorly understood variant of the Na3As-type. Based on temperature dependent measurements of poly- and single crystalline samples (-100°C 〈 T 〈 +35°C) we show, that in particular the sodium atoms (Na1) located in the region of the octahedral Hg6-holes show a pronounced temperature dependent dynamical behaviour. To a lesser extend this is also true for the tetrahedrally coordinated Na-atoms (Na2). With increasing temperature the former ones more and more approach the centers of the opposite triangular faces of mercury atoms, limiting the Hg6-octahedra along [001]. Occupation of the latter positions by sodium atoms would lead to unusual short interatomic distances dNa—Hg. However before reaching this unreasonable situation α-Na3Hg decomposes under formation of β-Na3Hg.
    Notes: Im Unterschied zu β-Na3Hg (rhomboedr. verzerrter Li3Bi-Typ) kristallisiert α-Na3Hg in einer bislang unverstandenen Variante des hexagonalen Na3As-Typs (Tu(α β) = + 36°C). Ausgehend von temperaturabhängigen Messungen an mikro- und einkristallinen Proben (-100°C 〈 T 〈 +35°C) können wir klar zeigen, daß insbesondere die Na-Atome (Na1) im „Einzugsbereich“ der Hg6-Oktaederlücken eine ausgeprägte, temperaturabhängige Dynamik zeigen. Dies gilt in geringem Maße auch für die tetraedrisch durch Hg koordinierten Na-Atome (Na2). Erstere entfernen sich mit zunehmender Temperatur von den Oktaederzentren und „tauchen“ mehr und mehr in die längs [001] gegenüberliegenden, die Hg6-Oktaeder begrenzenden Dreiecksflächen ein. Vor Erreichen des Mittelpunktes der Dreiecksflächen, einer Atomposition, die zwar dem idealen Na3As-Typ entspricht, deren Besetzung aber im vorliegenden Fall zu unakzeptabel kurzen interatomaren Abständen dNa—Hg führen würde, findet jedoch die Phasenumwandlung α-→β-Na3Hg statt.
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  • 90
    ISSN: 0044-2313
    Keywords: SnCl2 bridging ligand ; pentacarbonylmetal derivatives ; organometallic protection ; Sn—O-cage compound ; synthesis ; crystal structure ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: SnCl2 as a Bridging Ligand in [{(CO)5M}2Sn(Cl)2]2- (M = Cr, Mo, W)  -  Synthesis, Structure, and Reactivity[{(CO)5Cr}2Sn(Cl)2]2-, 1, may be obtained from [(CO)5Cr]2- or [(CO)5CrSnCl2 · THF] in fair yields. Alternatively, 1 is accessible by the reaction of [Cr2(CO)10]2- with SnCl2. This procedure may be extended to the synthesis of [{(CO)5M}2Sn(Cl)2]2- (M = Mo, 2; M = W, 3). The compounds 1-3 are crystallized as their alkalimetal (12-crown-4)2 or [2,2,2]cryptand salts. X-ray analyses demonstrate bridging SnCl2-moieties with M—Sn—M-angles close to 130° in each case. The relation of the bonding situation in 1-3 to the ones observed for stannylene or „inidene“ complexes, respectively, is discussed. The transformation of 1 into the rhombododecahedral (X-ray analysis) Sn—O-cage compound [{(CO)5CrSn}6(μ3-O)4(μ3-OH)4], 4, demonstrates the reactivity of the dianions 1-3.
    Notes: [{(CO)5Cr}2Sn(Cl)2]2, 1, kann aus [(CO)5Cr]2- oder [(CO)5CrSnCl2 · THF] in guten Ausbeuten dargestellt werden. Alternativ ist 1 aus [Cr2(CO)10]2- und SnCl2 zugänglich. Dieses Verfahren kann auf die Synthese von [{(CO)5M}2Sn(Cl)2]2- (M = Mo, 2; M = W, 3) übertragen werden. Die Dianionen 1-3 werden als Alkalimetall-(12-Krone-4)2 oder -[2,2,2]Kryptand-Salze kristallisiert. Einkristallröntgenstrukturanalysen zeigen jeweils die Verbrückung durch die SnCl2-Einheit mit M—Sn—M-Winkeln nahe bei 130°. Die Beziehung der Bindungsverhältnisse in 1-3 zu denen, die in Stannylen- oder „Iniden“-Komplexen beobachtet werden, wird diskutiert.Die Umwandlung von 1 in die rhombendo-dekaedrische (Röntgenstrukturanalyse) Käfigverbindung [{(CO)5CrSn}6(μ3-O)4(μ3-OH)4], 4, belegt die Reaktivität der Dianionen 1-3.
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  • 91
    ISSN: 0044-2313
    Keywords: O,O′,O″,O‴-tetraaryl-μ-imido-diphosphate ; O,O′,O″,O‴-tetraaryl-μ-imido- thiodiphosphate ; O,O′,O″,O‴-tetraaryl-μ-imido-dithiodiphosphate ; preparation ; crystal structure ; NMR investigation ; sign of P—P coupling constants ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Tetraarylesters of μ-Imido-Diphosphoric Acid and its Thio Derivatives  -  Structure InvestigationsNew O,O′,O″,O‴-tetratolyl- and ditolyl-diphenylesters of the μ-imido-diphosphoric acid and its mono and dithio derivatives were synthesized, compared with the corresponding tetraphenylesters and investigated by 1H, 13C, and 31P NMR spectroscopy and X-ray crystal structure analysis. Structures of the O,O′,O″,O‴-tetrakis-(2-methyl-phenyl)-μ-imidodiphosphate, 1b, as well as of the corresponding ortho-, meta- and para-tolylesters of the μ-imido-monothiodiphosphoric acid (2a, 2b, 2c) were determined. All the compounds form dimers via N—H…O hydrogen bonds in the crystal as well as in nonpolar solvents. The distances around the phosphorus atoms rise with decreasing electronegativity of the phosphorus substituents. Signs of the 2JP—N—P coupling constants were determined by 13C{1H, 31P} triple resonance experiments for some compounds. These constants become more negative owing to substitution of a phosphoryl by a thiophosphoryl group.
    Notes: Neue O,O′,O″,O‴-Tetratolyl- und Diphenylditolyl-ester der μ-Imido-diphosphorsäure und ihres Monothio- und Dithioderivates wurden synthetisiert, in ihren Eigenschaften mit den bekannten Phenylestern verglichen und 1H-, 13C- und 31P-NMR-spektroskopisch untersucht. Die Kristall- und Molekülstrukturen des O,O′,O″,O‴-Tetrakis-(2-methyl-phenyl)-μ-imido-diphosphats, 1b, sowie der entsprechenden ortho-, meta-, und para-Tolylester der μ-Imido-monothiodiphosphorsäure (2b, 2c, 2d) konnten gelöst werden. Alle Verbindungen bilden über N—H…O-Wasserstoffbrücken Dimere, die auch in unpolaren Lösungsmitteln erhalten bleiben. Die Bindungsabstände um die P-Atome nehmen mit sinkender Elektronegativität der Substituenten zu. Durch 13C{1H, 31P}- Tripelresonanzexperimente wurde das Vorzeichen der 2JP—N—P- Kopplungskonstanten für einige Verbindungen bestimmt. Bei Substitution von Phosphoryl- durch Thiophosphorylgruppen werden diese Konstanten negativer.
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  • 92
    Electronic Resource
    Electronic Resource
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 620 (1994), S. 561-565 
    ISSN: 0044-2313
    Keywords: Ternary palladium phosphide ; erbium ; crystal structure ; band calculations ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Er3Pd7P4  -  Crystal Structure Determination and Extended Hückel CalculationsEr3Pd7P4 was prepared by heating the elements (1050°C) and investigated by means of single-crystal X-ray methods. The compound crystallizes in a new structure (C2/m; a = 15.180(3) Å, b = 3.955(1) Å, c = 9.320(1) Å, β = 125,65(1)°; Z = 2) with a three-dimensional framework of Pd and P atoms and with Er atoms in the holes. The Pd atoms are surrounded tetrahedrally, trigonally or linearly by P atoms, which are coordinated by nine metal atoms in the form of a tricapped trigonal prism. Therefore the atomic arrangement of Er3Pd7P4 is related to the structures of ternary transition metal phosphides with a metal: phosphorus ratio of 2:1. Band calculations using the Extended Hückel method show strong covalent Pd—P bonds and weak bonding interactions between Pd atoms with Pd—Pd distances shorter than 2.9 Å.
    Notes: Er3Pd7P4 wurde durch Erhitzen der Elemente auf 1050°C dargestellt und röntgenographisch mit Einkristallmethoden untersucht. Die Verbindung kristallisiert monoklin (C2/m; a = 15,180(3) Å, b = 3,955(1) Å, c = 9,320(1) Å, β = 125,65(1)°; Z = 2) in einer neuen Struktur mit einem dreidimensionalen Gerüst aus Pd- und P-Atomen, in dessen Lücken sich die Er-Atome befinden. Die P-Umgebung der Pd-Atome ist tetraedrisch, trigonal oder linear. Die P-Atome ihrerseits werden von 9 Metallatomen in Form eines dreifach überkappten trigonalen Prismas koordiniert. Der Aufbau von Er3Pd7P4 ist dementsprechend verwandt mit den Strukturen ternärer Übergangsmetall-Phosphide mit einem Metall: Nichtmetallverhältnis von 2:1. Extended Hückel Rechnungen zeigen u. a. neben starken kovalenten Pd—P-Bindungen schwache bindende Wechselwirkungen zwischen denjenigen Pd-Atomen, deren Abstände voneinander kürzer als 2,9 Å sind.
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  • 93
    Electronic Resource
    Electronic Resource
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 620 (1994), S. 574-580 
    ISSN: 0044-2313
    Keywords: Manganese ; cobalt ; nickel ; copper carboxylate complexes ; crystal structure ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Complex Formation of 5,6-Dihalogeno-7-oxa-bicyclo[2.2.1]heptane-2,3-dicarboxylic Acid with 3d Transition ElementsCarboxylate complexes of bivalent manganese, cobalt, nickel and copper with 5,6-dichloro- and 5,6-dibromo-7-oxa-bicyclo[2.2.1]heptane-2,3-dicarboxylic acid (3 and 4) have been prepared. For cobalt and nickel two types of complexes are formed: [ML3/4(H2O)3] · H2O and [ML3/4(H2O)2], the latter is thermodynamically more stable. Manganese and copper form only complexes [MnL3/4] and [CuL3/4(H2O)2], respectively. The stereochemical configuration of the compounds have been deduced from their spectroscopic and magnetic properties. The metal atoms have been found to be in an octahedral environment. The stability constants of the complexes have been determined by potentiometric measurements. The thermal decomposition of the complexes has been studied by thermogravimetry and differential thermal analysis. The complexes of 3 are thermally more stable than the corresponding ones of 4.The X-ray structure analysis of [CoL3(H2O)3] · H2O shows a monomeric structure of the complex within the crystal and an octahedral coordination of the metal ion. The dicarboxylate anion acts as a tridentate ligand, the other octahedral sites are occupied by three water molecules. The chlorine atoms are not involved in the network of hydrogen bonds within the crystal packing.
    Notes: Es wurden Carboxylatkomplexe des zweiwertigen Mangans, Cobalts, Nickels und Kupfers mit der 5,6-Dichlor- und 5,6-Dibrom-7-oxa-bicyclo[2.2.1]heptan-2,3-dicarbonsäure (3 und 4) dargestellt. Dabei bilden sowohl Cobalt als auch Nickel zwei verschiedene Komplextypen [ML3/4(H2O)3] · H2O und [ML3/4(H2O)2] aus, wobei der letztere thermodynamisch stabiler ist. Für Mangan und Kupfer konnten dagegen nur Koordinationsverbindungen der Form [MnL3/4] bzw. [CuL3/4(H2O)2] erhalten werden. Die Ergebnisse spektroskopischer und magnetischer Messungen ließen in allen Fällen auf oktaedrische Koordinationsgeometrie schließen. Die Stabilitätskonstanten der Komplexe wurden durch potentiometrische Titration bestimmt. Die thermische Zersetzung der Verbindungen wurde mit TG-, DTG- und DTA-Methoden untersucht. Dabei erwiesen sich die Koordinationsverbindungen von 3 als thermisch stabiler als die entsprechenden von 4.Die Röntgenkristallstrukturanalyse von [CoL3(H2O)3] · H2O zeigt, daß der Komplex monomer im Kristall vorliegt und das Metallatom oktaedrisch koordiniert ist. Das Dicarboxylat-Anion fungiert als dreizähniger Chelatligand, die restlichen Oktaederplätze am Co-Atom werden von Wassermolekülen besetzt. Die Chloratome sind nicht am Wasserstoffbrückennetz im Kristallgitter beteiligt.
    Additional Material: 4 Ill.
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  • 94
    Electronic Resource
    Electronic Resource
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 620 (1994), S. 620-624 
    ISSN: 0044-2313
    Keywords: 3-Phenoxy-(1,2,4,5-tetraaza-3λ5-phospha-6-silacyclohexane)-6-spiro-1′-(silacyclohexane)-3-sulfide ; 1′,3′,5′,7′-tetraamino-2′,6′-diphenoxy-(silacyclohexane)-1-spiro-4′-(1′,3′,5′,7′-tetraaza-2′λ5,6′λ5-diphospha-4′,8′-disilacyclooctane)-8′-spiro-1″-(silacyclohexane)-2′,6′-disulfide ; NMR spectra ; crystal structure ; spirocycles ; inorganic heterocycles ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Silicon-Containing Spirocyclic Phosphorus(V) Hydrazine HeterocyclesIn the reaction of 1,1-dichlorosilacyclohexane with dihydrazido thiophosphoric acid O-phenylester in a 1:1 molar ratio in THF as solvent and in the presence of triethylamine mainly the expected spirocyclic system of inorganic and organic heterocycle is formed with the Si atom as spirocenter (ms, nmr). In addition and in low yield crystalls of a dimeric compound are isolated. A single crystall x-ray analysis reveals this compound to consist of a dispiro system with a central centrosymmetric eightmembered inorganic heterocycle connected with two silacyclohexanes via Si spirocenters.
    Notes: Bei der Umsetzung von 1,1-Dichlorsilacyclohexan mit Dihydrazidothiophosphorsäure-O-phenylester im Molverhältnis 1:1 in THF als Lösungsmittel und in Gegenwart von Triethylamin als Base entsteht überwiegend das gewünschte spiro-cyclische System aus anorganischem und organischem Sechsring mit dem Si-Atom als Spirozentrum (MS, NMR). Daneben kann in kristalliner Form in geringer Ausbeute auch eine dimere Verbindung isoliert werden, die nach einer Einkristall-Röntgenstrukturanalyse aus einem Dispiro-System mit zentralem, zentrosymmetrischem, anorganischem Achtring und zwei über Si-Atome spiro-verknüpften Silacyclohexanen besteht.
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  • 95
    Electronic Resource
    Electronic Resource
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 620 (1994), S. 642-646 
    ISSN: 0044-2313
    Keywords: Copper, rare earth, tungsten, oxide ; crystal structure ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: The Crystal Chemistry of Copper Rare-Earth Oxotungstates: (I): triclinic-α-CuTbW2O8, (II): monoclinic-CuInW2O8 and (III): monoclinic-CuYW2O8Single crystals of (I), (II) and (III) were prepared by recrystallisation in closed systems and examined by X-ray technique. (I): space group Cil—P1, a = 7.3080, b = 7.8945, c = 7.1476 Å, α = 115.23, β = 116.21, γ = 56.98°, Z = 2; (II): space group C2h6—C2/c, a = 9.6576, b = 11.6496, c = 4.9863 Å, β = 91.17°, Z = 4; (III): space group C2h4—P2/n, a = 10.0504, b = 5.8214, c = 5.0224 Å, β = 94.23°, Z = 2. The crystal structures are discussed with respect to calculations of the coulombterms of lattice energy and possible valence states of Cu2+ and Mo5+.
    Notes: Einkristalle von (I), (II) und (III) wurden durch Rekristallisation in geschlossenen Systemen dargestellt und röntgenographisch untersucht. Die kristallographischen Daten lauten: (I): Raumgruppe Cil—P1, a = 7,3080, b = 7,8945, c = 7,1476 Å, α = 115,23, β = 116,21, γ = 56,98°, Z = 2; (II): Raumgruppe C2h6—C2/c, a = 9,6576, b = 11,6496, c = 4,9863 Å, β = 91,17°, Z = 4; (III): Raumgruppe C2h4—P2/n, a = 10,0504, b = 5,8214, c = 5,0224 Å, β = 94,23°, Z = 2. Die Kristallstrukturen werden mit Blick auf Berechnungen der Coulombterme der Gitterenergie und mögliche Ladungen von Cu2+ und Mo5+ diskutiert.
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  • 96
    Electronic Resource
    Electronic Resource
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 620 (1994), S. 651-654 
    ISSN: 0044-2313
    Keywords: Barium, copper, arsenic, oxide ; crystal structure ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: On the Crystal Structure of Barium-Copper-Orthoarsenate BaCu2(AsO4)2Single crystals of BaCu2(AsO4)2 were prepared above 1 000°C by CO2-LASER technique and investigated by X-ray structure determination. The light blue crystals show monoclinic symmetry, space group C2h5—P21/n, a = 4.752; b = 8.506; c = 8.945 Å; β = 93.49°, Z = 2. BaCu2(AsO4)2 represents a hitherto unknown structure type with Cu2+ in trigonal bipyramidal coordination. Ba2+ shows an 8 + 2 surrounding by O2- and As5+ is tetrahedrally coordinated. The crystal structure is discussed with respect to related orthophosphates and vanadates.
    Notes: Mit CO2-LASER-Technik wurden bei ca. 1 000°C Einkristalle der Verbindung BaCu2(AsO4)2 dargestellt und röntgenographisch untersucht. Die blaßblauen Kristalle haben monokline Symmetrie, Raumgruppe C2h5—P21/n, mit a = 4,752; b = 8,506; c = 8,945 Å; β = 93,49°, Z = 2. BaCu2(AsO4)2 repräsentiert einen neuen Strukturtyp, der Cu2+ in trigonal bipyramidaler Koordination zeigt. Ba2+ ist 8 + 2-fach und As5+ tetraedrisch von Sauerstoff umgeben. Die Kristallstruktur wird unter Bezug auf verwandte Orthophosphate und -vanadate diskutiert.
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  • 97
    Electronic Resource
    Electronic Resource
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 620 (1994), S. 647-650 
    ISSN: 0044-2313
    Keywords: Copper, rare earth, molybdenum, oxide ; crystal structure ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: A Contribution on CuPrMo2O8 and CuTbMo2O8Single crystals of (I): CuPrMo2O8 and (II): CuTbMo2O8 were prepared by solid state reactions in closed copper tubes. They crystallize with orthorhombic symmetry, space group D2h15-Pbca, (I): a = 10.4114, b = 9.8917, c = 14.8287 Å, (II): a = 10.2243, b = 9.7385, c = 14.6000, Z = 8. Both compounds are isotypic to CuYMo2O8, showing isolated MoO4 tetrahedra, square antiprismatic coordination of Ln3+ and Cu+ besides one edge of an O2- triangle. Calculations of the coulombterm of lattice energy support the oxidation state Cu2+ in combination with mixed valences of Mo6+ and Mo5+ on the molybdenum point positions.
    Notes: Einkristalle von (I): CuPrMo2O8 und (II): CuTbMo2O8 wurden mit Hilfe von Feststoffreaktionen in geschlossenen Kupferrohren erhalten. Sie kristallisieren mit orthorhombischer Symmetrie, Raumgruppe D2h15-Pbca, (I): a = 10,4114, b = 9,8917, c = 14,8287 Å, (II): a = 10,2243, b = 9,7385, c = 14,6000, Z = 8. Beide Verbindungen sind isotyp zu CuYMo2O8, sie zeigen isolierte MoO4-Tetraeder, quadratische Antiprismen um Ln3+ und Kupfer dicht an einer Kante eines O2--Dreiecks. Berechnungen der Coulombterme der Gitterenergie unterstützen die Oxidationsstufe Cu2+ in Kombination mit gemischten Valenzen von Mo6+ und Mo5+ auf den Molybdänpunktlagen.
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  • 98
    ISSN: 0044-2313
    Keywords: Selenium complexes ; tellurium complexes ; dicyanethylenedithiolate ; dicyanethylenethioselenolate ; dicyanethylenediselenolate ; syntheses ; crystal structure ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Structures of New SeII and TeII Complexes Containing 2,2-Dicyanethylene-1,1-dithiolate, 2,2-Dicyanethylene-1,1-thioselenolate, and 2,2-Dicyanethylene-1,1-diselenolate(NBu4)2{Se[S2C=C(CN)2]2} (I), (AsPh4)2 · {Te[SSeC=C(CN)2]2} (II), and (NBu4)2{Te[Se2C=C(CN)2]2} (III) containing the bidentate chelate ligands 2,2-dicyanethylene-1,1-dithiolate i-mnt, 2,2-dicyanethylene-1,1-thioselenolate i-mnts, and 2,2-dicyanethylene-1,1-diselenolate i-mns have been prepared and characterized by X-ray structure analysis. The central units consist of [M(X—X)2E2]2- (M = Se, Te; X—X = ligand; E = lone-pair) with fourfold coordinated SeII and TeII, respectively. The complex anions [Se(i-mnt)2E2]2- as well as [Te(i-mnts)2E2]2- show a trapezoide distortion with d(Se—S) = 2.276(5); 2.287(5); 2.803(5); 2.789(5) Å and d(Te—Se) = 2.611(2); 2.617(3); d(Te—S) = 2.889(5); 2.935(4) Å. In III there are centrosymmetric complex anions [Te(i-mns)2E2]2- with nearly identical Te—Se-bond-lengths: 2.674(3) and 2.692(2) Å. These Te—Se bonds are elongated compared to usual Te—Se bonds.
    Notes: (NBu4)2{Se[S2C=C(CN)2]2} (I), (AsPh4)2 · {Te[SSeC=C(CN)2]2} (II) und (NBu4)2{Te[Se2C=C(CN)2]2} (III) mit den zweizähnigen Liganden 2,2-Dicyanethylen-1,1-dithiolat i-mnt, 2,2-Dicyanethylen-1,1-thioselenolat i-mnts und 2,2-Dicyanethylen-1,1-diselenolat i-mns wurden dargestellt und durch Einkristallstrukturanalysen charakterisiert. In den zentralen M(X—X)2E2-Einheiten (M = Se, Te; X—X = Ligand, E = freies Elektronenpaar) liegt vierfach koordiniertes SeII bzw. TeII vor. Die Komplexanionen [Se(i-mnt)2E2]2- und [Te(i-mnts)2E2]2- sind trapezförmig verzerrt mit d(Se—S) = 2,276(5); 2,287(5); 2,803(5); 2,789(5) Å und d(Te—Se) = 2,611(2); 2,617(3); d(Te—S) = 2,889(5); 2,935(4) Å. In III liegen dagegen zentrosymmetrische Komplexanionen [Te(i-mns)2E2]2- mit nahezu gleichlangen Te—Se-Bindungen vor: 2,674(3) und 2,692(2) Å. Die Te—Se-Bindungen sind dabei gegenüber gewöhnlichen Te—Se-Bindungslängen deutlich aufgeweitet.
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  • 99
    Electronic Resource
    Electronic Resource
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 620 (1994), S. 53-57 
    ISSN: 0044-2313
    Keywords: Dilithium trihydrogen orthoperiodate ; preparation ; crystal structure ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Li2H3IO6, a New Variant of the Molybdenite StructureLi2H3IO6 crystallizes in P61 (a = 529.70(8), c = 2 759.6(5) pm; Z = 6). The crystals are twinned by merohedry, described by m ‖ [001] and 2 ⊥ [001]. According to the results of an X-ray structure determination (2 778 diffractometer data, Rw = 0.047), Li2H3IO6 exhibits a layer structure, with oxygen forming a distorted variant of the sulfur partial structure in molybdenite (MoS2), however, with iodine and lithium in the more (Li) or less (I) distorted octahedral holes. The Li2IO6 packages are connected via strong hydrogen bonds along the edges of distorted trigonal prisms.
    Notes: Li2H3IO6 kristallisiert in der Raumgruppe P61 (a = 529,70(8), c = 2 759,6(5) pm; Z = 6). Die Kristalle sind merohedrisch verviellingt, beschrieben durch m ‖ [001] und 2 ⊥ [001]. Nach der Röntgenstrukturanalyse (2 778 unabhängige Reflexe, Rw = 0,047) liegt eine Schichtstruktur vor, in der die Sauerstoffatome eine verzerrte Variante der Schwefelteilstruktur von Molybdänit (MoS2) ausbilden, die Kationen besetzen die mehr (Li) oder weniger (I) verzerrten Oktaederlücken. Die Li2IO6-Schichtpakete werden entlang der Kanten der verzerrten trigonalen Prismen durch Wasserstoffbrückenbindungen miteinander verknüpft.
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  • 100
    Electronic Resource
    Electronic Resource
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 620 (1994), S. 48-52 
    ISSN: 0044-2313
    Keywords: Alkali bismuth gold oxide ; preparation ; 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 NaBi2AuO5NaBi2AuO5 was obtained by hydrothermal reaction of ‘Bi2O5’, Au2O3 · 2H2O and saturated aqueous NaOH solution at temperatures from 300 to 600°C and oxygen pressure from 3 × 108 to 6 × 108 Pa for the first time. The crystal structure (P4b2; a = 1 220.02(6) pm; b = 386.68(3) pm; Z = 4; Rw = 0.022) consists of bisphenoidic distorted AuO4 groups, which are stacked in c-direction. They are connected by square pyramidal BiO5 units. Sodium is occupying holes within the Au/Bi/O framework thus formed.
    Notes: NaBi2AuO5 wurde durch Hydrothermalreaktion aus ‘Bi2O5’, Au2O3 · 2H2O und ges. wäßriger NaOH bei Temperaturen von 300 bis 600°C und Sauerstoffdrucken von 3 · 108 bis 6 · 108 Pa erstmals dargestellt. Nach den Ergebnissen der Röntgenstrukturanalyse (P4b2, a = 1 220,02(6); b = 386,68(3) pm; Z = 4; Rw = 0,022) liegen bisphenoidisch verzerrte AuO4-Gruppen vor, die in c-Richtung gestapelt sind. Die Verknüpfung erfolgt über quadratisch pyramidale BiO5-Baueinheiten. In dieser Raumnetzstruktur besetzt Natrium die vorhandenen Lücken.
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