Information card for entry 7114029

Structure parameters

• Formula: C42 H152 Cu7 N28 O82 V32
• Calculated formula: C42 H152 Cu7 N28 O82 V32
• Title of publication: First hexadecavanadate compound: hydrothermal synthesis and characterization of a three-dimensional framework [{Cu(1,2-pn)2}7{V16O38(H2O)}2]??4H2O
• Authors of publication: Lin, Bi-Zhou; Liu, Shi-Xiong
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 18
• Pages of publication: 2126
• a: 21.51 ± 0.002 Å
• b: 25.58 ± 0.003 Å
• c: 12.632 ± 0.001 Å
• α: 90°
• β: 91.17 ± 0.01°
• γ: 90°
• Cell volume: 6949 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1543
• Residual factor for significantly intense reflections: 0.0655
• Weighted residual factors for significantly intense reflections: 0.1611
• Weighted residual factors for all reflections included in the refinement: 0.1813
• Goodness-of-fit parameter for all reflections included in the refinement: 0.869
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No