Information card for entry 4313878

Structure parameters

• Chemical name: V6O16Cu(C4H4N2)2 (H2O)0.22(1)
• Formula: C8 H8.45 Cu N4 O16.22 V6
• Calculated formula: C8 H10 Cu N4 O17 V6
• Title of publication: Synthesis and Properties of V6O16Cu(C4H4N2)2.(H2O)0.22(1): Charge Density Matching of a Metal-Segregated Layer Structure
• Authors of publication: Paul A. Maggard; Paul D. Boyle
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 4250 - 4252
• a: 22.121 ± 0.006 Å
• b: 9.3086 ± 0.0017 Å
• c: 10.014 ± 0.003 Å
• α: 90°
• β: 112.895 ± 0.018°
• γ: 90°
• Cell volume: 1899.6 ± 0.9 ų
• Cell temperature: 221 K
• Ambient diffraction temperature: 221 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.045
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for all reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.044
• Goodness-of-fit parameter for significantly intense reflections: 1.5
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MolybdenumKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No