Information card for entry 4509471

Structure parameters

• Formula: C40 H40 N8 Ni2 O14.5 V5
• Calculated formula: C40 H40 N8 Ni2 O14.5 V5
• Title of publication: Inorganic−Organic Hybrid Materials with Novel Framework Structures: Synthesis, Structure, and Magnetic Properties of [Ni(py)4]2V10O29and [Ni2(py)5(H2O)3]V4O12
• Authors of publication: Khan, M. Ishaque; Nome, Renata C.; Deb, Sangita; McNeely, James H.; Cage, Brant; Doedens, Robert J.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2009
• Journal volume: 9
• Journal issue: 6
• Pages of publication: 2848
• a: 11.306 ± 0.011 Å
• b: 26.46 ± 0.03 Å
• c: 16.82 ± 0.017 Å
• α: 90°
• β: 107.31 ± 0.08°
• γ: 90°
• Cell volume: 4804 ± 9 ų
• Cell temperature: 175 ± 2 K
• Ambient diffraction temperature: 175 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0669
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.1297
• Weighted residual factors for all reflections included in the refinement: 0.1373
• Goodness-of-fit parameter for all reflections included in the refinement: 1.191
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No