Information card for entry 4301796

Structure parameters

• Formula: C136 H100 Cl2 Cu4 N36 O18 W2
• Calculated formula: C136 H80 Cl2 Cu4 N36 O18 W2
• Title of publication: Magnetostructural Correlations in CuII-NC-WVLinkage: The Case of [CuII(diimine)]2±[WV(CN)8]3-0D Assemblies
• Authors of publication: Tomasz Korzeniak; Cédric Desplanches; Robert Podgajny; Carlos Giménez-Saiz; Katarzyna Stadnicka; Michał Rams; Barbara Sieklucka
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 2865 - 2872
• a: 12.1598 ± 0.0002 Å
• b: 33.8796 ± 0.0004 Å
• c: 18.8642 ± 0.0002 Å
• α: 90°
• β: 120.315 ± 0.003°
• γ: 90°
• Cell volume: 6708.8 ± 0.3 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0821
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1024
• Weighted residual factors for all reflections included in the refinement: 0.1154
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No