Information card for entry 7011771

Structure parameters

• Formula: C96 H79 Co4 Mo8 N16 O53 P3 V6
• Calculated formula: C96 H66 Co4 Mo8 N16 O53 P3 V6
• Title of publication: Hydrothermal synthesis and crystal structure of a hybrid material based on [Co4(phen)8(H2O)2(HPO3)2]4+ and a highly reduced polyoxoanion
• Authors of publication: Yuan, Mei; Li, Yangguang; Wang, Enbo; Lu, Ying; Hu, Changwen; Hu, Ninghai; Jia, Hengqing
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 14
• Pages of publication: 2916
• a: 13.43 ± 0.004 Å
• b: 23.352 ± 0.005 Å
• c: 18.785 ± 0.003 Å
• α: 90°
• β: 94.99 ± 0.02°
• γ: 90°
• Cell volume: 5869 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• 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: 0.0858
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.1428
• Weighted residual factors for all reflections included in the refinement: 0.1538
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No