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  • 1
    Electronic Resource
    Electronic Resource
    Crystal structure of Li2Cu3(SeO3)2(SeO4)2 (1989)
    Springer
    Monatshefte für Chemie 120 (1989), S. 661-666 
    Details
    ISSN: 1434-4475
    Keywords: Li2Cu3(SeO3)2(SeO4)2 ; Lithium-copper-selenite-selenate ; Hydrothermal synthesis ; Crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Zusammenfassung Einkristall-Röntgendaten der hydrothermal gezüchteten neuen Phase Li2Cu3(SeO3)2(SeO4)2 wurden mit einem Vierkreisdiffraktometer im Bereich bis zu sin ϑ/λ=0.81 Å−1 gemessen [I2/a,Z=4,V=1175.5 Å3,a=16.293(6),b=5.007(2),c=14.448(6) Å, β=94.21(1)°]. Die Kristallstruktur wurde mittels direkter und Fourier-Methoden bestimmt und für 2 086 unabhängige Reflexe zuR=0.034,R w =0.027 verfeinert. Cu(1)[4+1]O5 bildet eine tetragonale Pyramide, Cu(2)[4+2]O6 ist ein stark verlängertes Oktaeder. Das Li-Atom ist von vier O-Atomen in Gestalt eines verzerrten Tetraeders umgeben. Die Se(IV)O3-und Se(VI)O4-Gruppen entsprechen der Literatur, die mittleren Se-O-Abstände betragen 1.714 und 1.644 Å.
    Notes: Summary Single crystal X-ray data of the hydrothermally grown new phase Li2Cu3(SeO3)2(SeO4)2 were measured with a four-circle diffractometer up to sin ϑ/λ=0.81 Å−1 [I2/a,Z=4,V=1175.5 Å3,a=16.293(6),b=5.007(2),c=14.448(6) Å, β = 94.21(1)°]. The structure was determined by direct and Fourier methods and refined toR=0.034,R w =0.027 for 2 086 independent reflections. Cu(1)[4+1]O5 forms a tetragonal pyramid, Cu(2)[4 + 2]O6 is a strongly elongated octahedron. The Li atom is surrounded by four O atoms forming a distorted tetrahedron. Se(IV)O3 and Se(VI)O4 groups are in accordance to literature, mean Se-O bond lengths are 1.714 and 1.644 Å.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00809956
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  • 2
    Electronic Resource
    Electronic Resource
    Synthesis and crystal structure of monoclinic Fe2(SeO4)3 (1991)
    Springer
    Monatshefte für Chemie 122 (1991), S. 617-623 
    Details
    ISSN: 1434-4475
    Keywords: Fe2(SeO4)3 ; Anhydrous ferric selenate(VI) ; Crystal structure ; Crystal chemistry ; Hydrothermal synthesis
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Zusammenfassung Kristalle von monoklinem Fe2(SeO4)3 wurden unter Hydrothermalbedingungen gezüchtet. Die Struktur wurde mit Einkristall-Röntgenmethoden bestimmt und in der Raumgruppe P21/n mit 2 646 unabhängigen Reflexen (sin θ/λ〈0.7Å−1) aufR=0.033,R w=0.037 verfeinert:a=8.530(2) Å,b=8.888(2) Å,c=11.952(2) Å, β=91.13(1)°,V=906.0 Å3,Z=4. Die Kristallstruktur ist isotyp mit der monoklinen Modifikation von Fe2(SO4)3, sie enthält zwei unterschiedliche Fe(III) und drei Se(VI) Atompositionen. Die FeO6-Polyeder sind nur gering verzerrt, die mittleren Fe-O Bindungslängen sind 1.986 Å und 2.004 Å, die mittleren Abstände in den SeO4-Tetraedern sind jeweils 1.628 Å. Die isolierten FeO6-Oktaeder sind nur über gemeinsame Ecken mit SeO4-Tetraedern verbunden, wobei eine Gerüststruktur entsteht.
    Notes: Summary Crystals of monoclinic Fe2(SeO4)3 were synthesized under hydrothermal conditions. The structure was determined by single crystal X-ray methods and refined in space group P21/n with 2 646 independent reflections (sin θ/λ〈0.7 Å−1) toR=0.033,R w=0.037:a=8.530 (2) Å,b=8.888 (2) Å,c=11.952 (2) Å, β=91.13 (1)°,V=906.0 Å3,Z=4. The crystal structure is isotypic with the monoclinic modification of Fe2(SO4)3, containing two different Fe(III) and three Se(VI) atomic positions. The FeO6 and SeO4 polyhedra are only slightly distorted, the mean Fe-O bond lengths are 1.986 Å and 2.004 Å, the average distances within the SeO4 tetrahedra are each 1.628 Å. The isolated FeO6 octahedra only share corners with SeO4 tetrahedra to build a framework structure.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00811460
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  • 3
    Electronic Resource
    Electronic Resource
    A Contribution to the Stereochemistry of Earth Alkaline Selenites: Synthesis and Crystal Structure of Ca2(SeO3)(Se2O5), Ba(SeO3), and Ba(Se2O5) (1998)
    Springer
    Monatshefte für Chemie 129 (1998), S. 445-454 
    Details
    ISSN: 1434-4475
    Keywords: Keywords. Ca2(SeO3)(Se2O5); Ba(SeO3); Ba(Se2O5) ; Crystal structure; Crystal chemistry.
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Zusammenfassung.  Die Verbindungen Ca2(SeO3)(Se2O5), Ba(SeO3) und Ba(Se2O5) wurden unter niedrig-hydrothermalen Bedingungen aus wäßrigen Lösungen von SeO2 durch Reaktion mit den jeweiligen Erdalkalikarbonaten erhalten. Die Kristallstrukturen wurden aus Einkristallröntgendaten mittels direkter Methoden bestimmt. Ca2(SeO3)(Se2O5): Raumgruppe P*, Z=2, a=5.517(1), b=8.210(2), c=8.716(2) Å, α=92.47(2), β=95.92(2), γ=97.15(2)°, V=389.0(2) Å3, R 1=0.017; Ba(SeO3): Raumgruppe P21/m, Z=2, a=4.677(2), b=5.645(2), c=6.851(3) Å, β=107.16(2)°, V=172.8(1) Å3, R 1=0.022; Ba(Se2O5): Raumgruppe P21/c, Z= 4, a= 4.553(1), b=11.724(3), c=9.758(2) Å, β=92.66(2)°, V=520.3(2) Å3, R 1=0.027. Alle drei Verbindungen besitzen Gerüststrukturen; im Fall des Ca2(SeO3)(Se2O5) können Einheiten von kantenverknüpften CaOn Polyedern hervorgehoben werden, die Schichten parallel zu (010) bilden. Ba(SeO3) gehört dem KClO3-Strukturtyp an. In Ba(Se2O5) treten Ketten von flächenverknüpften BaO9 Polyedern entlang [100] auf. Die Calciumatome sind 7- und 8-koordiniert mit mittleren Ca–O Bindungslängen von 2.42 und 2.48 Å: die beiden Bariumatome weisen neun Sauerstoffliganden mit mittleren Ba–O Bindungslängen von 2.87 Å auf.
    Notes: Summary.  The compounds Ca2(SeO3)(Se2O5), Ba(SeO3), and Ba(Se2O5) were obtained at low-hydrothermal conditions from aqueous solutions of SeO2 by reaction with the respective earth alkaline carbonate. The crystal structures were determined by direct methods from single crystal X-ray diffraction data. Ca2(SeO3)(Se2O5): space group P*, Z=2, a=5.517(1), b=8.210(2), c=8.716(2) Å, α=92.47(2), β=95.92(2), γ=97.15(2)°, V=389.0(2) Å3, R 1=0.017; Ba(SeO3): space group P21/m, Z=2, a=4.677(2), b=5.645(2), c=6.851(3) Å, β=107.16(2)°, V=172.8(1) Å3, R 1=0.022, Ba(Se2O5): space group P21/c, Z=4, a=4.553(1), b=11.724(3), c=9.758(2) Å, β=92.66(2)°, V=520.3(2)Å3, R1=0.027. All three compounds have framework structures; in the case of Ca2(SeO3)(Se2O5), subunits of edge-sharing CaO n polyhedra forming sheets parallel to (010) can be emphasized. Ba(SeO3) belongs to the structure type of KClO3. In Ba(Se2O5), chains of face-sharing BaO9 polyhedra along [100] are present. The calcium atoms are 7- and 8-coordinated with mean Ca–O bond lengths of 2.42 and 2.48 Å, the barium atoms have nine oxygen ligands with mean Ba–O bond lengths of 2.87 Å.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/PL00000101
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  • 4
    Electronic Resource
    Electronic Resource
    From α-carbamoyl-α-cyanooxiranes to 3-halogenopyruvamides (2000)
    Oxford [u.a.] : International Union of Crystallography (IUCr)
    Acta crystallographica 56 (2000), S. 1164-1167 
    Details
    ISSN: 1600-5759
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: The crystal structures of the first stable α-diol from the α-halogenopyruvamide series, 3-chloro-2,2-dihydroxy-3-phenylpropanamide, C9H10ClNO3, and three products [3-(4-chlorophenyl)-2-cyano-2,3-epoxypropanamide, C10H7ClN2O2, 3-bromo-2-cyano-2-hydroxy-3-p-tolylpropanamide, C11H11BrN2O2, 3-bromo-2-oxo-3-p-tolylpropanamide, C10H10BrNO2] obtained during the systematic synthesis of α-halogenopyruvamides are reported. The crystal structures are dominated by hydrogen bonds involving an amide group. The stability of the geminal diol could be ascribed to hydrogen bonds which involve both hydroxyl groups.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0108270100008623
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  • 5
    Electronic Resource
    Electronic Resource
    Diiodo(3,4,5,6-tetrahydropyrimidinium-2-thiolato-S)mercury(II) (2001)
    Oxford [u.a.] : International Union of Crystallography (IUCr)
    Acta crystallographica 57 (2001), S. 409-411 
    Details
    ISSN: 1600-5759
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: The reaction of 3,4,5,6-tetrahydropyrimidine-2-thione (H4pymtH) with mercury(II) iodide in methanol in a 1:1 molar ratio resulted in the formation of single crystals of the title compound, [Hg(C4H8N2S)I2]. The Hg atom is coordinated by one S atom from H4pymtH at 2.456 (2) Å and by two I atoms at distances of 2.6872 (7) and 2.7044 (6) Å, and has a characteristic deformed trigonal coordination geometry. The molecule has crystallographic m symmetry but the Hg atom is disordered above and below the mirror plane.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0108270101001822
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  • 6
    Electronic Resource
    Electronic Resource
    Bis(tetramethylammonium) hexamolybdate hydrate, [(CH3)4N]2[Mo6O19]·H2O (2000)
    Oxford [u.a.] : International Union of Crystallography (IUCr)
    Acta crystallographica 56 (2000), S. e278-e279 
    Details
    ISSN: 1600-5759
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: The crystal and molecular structure of the title compound, (C4H12N)2[Mo6O19]·H2O, has been determined from X-ray diffraction data. The polyoxoanion [Mo6O19]2− is built up from six distorted MoO6 octahedra sharing common edges and one common vertex at the central O atom, and has crystallographic m3m (Oh) symmetry. The cation has crystallographic \overline 43m symmetry.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0108270100007630
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  • 7
    Electronic Resource
    Electronic Resource
    Methyl {1-[2,3-O-isopropylidene-5-O-(4-nitrobenzoyl)-α-D-ribofuranosyl]-4-methoxycarbonyl-1H-1,2,3-triazol-5-yl}acetate (2000)
    Oxford [u.a.] : International Union of Crystallography (IUCr)
    Acta crystallographica 56 (2000), S. 890-891 
    Details
    ISSN: 1600-5759
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: In the title compound, C22H24N4O11, the N-glycosidic torsion angles O′—C′—N—C and O′—C′—N—N are −34.1 (6) and 148.8 (3)°, respectively. The molecule displays an α-D configuration with the ribofuranose moiety in an O′-exo–C′-endo pucker. There are only weak C—H...O and C—H...N intra- and intermolecular interactions.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0108270100005394
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  • 8
    Electronic Resource
    Electronic Resource
    A decanuclear oxomolybdenum(V,VI) cluster with 4-isopropylpyridine (2001)
    Oxford [u.a.] : International Union of Crystallography (IUCr)
    Acta crystallographica 57 (2001), S. 246-247 
    Details
    ISSN: 1600-5759
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: The title centrosymmetric cluster octakis(4-isopropylpyridine-N)-di-μ4-oxo-hexa-μ3-oxo-octa-μ2-oxo-decaoxooctamolybdenum(V)dimolybdenum(VI), [Mo10O26(C8H11N)8], consists of ten Mo atoms connected together by bridging oxo groups. Pentavalent Mo atoms are linked into four Mo2V pairs by metal–metal single bonds with lengths of 2.5637 (6) and 2.6132 (6) Å.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0108270100017303
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  • 9
    Electronic Resource
    Electronic Resource
    The polyoxometallate [(CH3)4N]2[Mo4O10(OCH3)4Cl2] (2000)
    Oxford [u.a.] : International Union of Crystallography (IUCr)
    Acta crystallographica 56 (2000), S. e443-e444 
    Details
    ISSN: 1600-5759
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: The crystal and molecular structure of bis(tetramethylammonium) dichlorotetra-μ2-methoxo-di-μ2-oxo-octooxotetramolybdate(VI), (C4H12N)2[Mo4O10(OCH3)4Cl2], has been determined from X-ray diffraction data. The crystallographically centrosymmetric anion is built up of four edge-sharing octahedra, two MoO6 and two MoO5Cl.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0108270100012233
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  • 10
    Electronic Resource
    Electronic Resource
    Two dimeric CuII benzoate derivatives solvated with acetonitrile (2001)
    Oxford [u.a.] : International Union of Crystallography (IUCr)
    Acta crystallographica 57 (2001), S. 546-548 
    Details
    ISSN: 1600-5759
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: The title compounds, tetrakis(μ-benzoato-O:O′)bis(2,6-diaminopyridine)-1κN,2κN-dicopper(II)–acetonitrile (1/2), [Cu2(C7H5O2)4(C5H7N3)2]·2C2H3N, (I), and bis(acetonitrile)-1κN,2κN-tetrakis(μ-benzoato-O:O′)dicopper(II)–acetonitrile (1/1.5), [Cu2(C7H5O2)4(C2H3N)2]·1.5C2H3N, (II), crystallize as acetonitrile solvates exhibiting different stability. They have similar molecular structures with discrete dimeric units located at crystallographic inversion centres. The copper ions are bridged by four benzoate groups and neutral N-donor ligands, viz. 2,6-diaminopyridine in (I) and acetonitrile in (II), are coordinated at apical positions. The diverse stability is probably due to hydrogen-bond interactions of the solvated acetonitrile molecules with neighbouring dimers in compound (I).
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0108270101003183
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