Information card for entry 7010538

Structure parameters

• Formula: C16 H68 Co2 Mo8 N12 Na O52 P V8
• Calculated formula: C16 H52 Co2 Mo8 N12 Na O52 P V8
• Title of publication: Cation-induced assembly of the first mixed molybdenum‒vanadium hexadecametal host shell cluster anions
• Authors of publication: Xu, Yan; Zhu, Dun-Ru; Guo, Zi-Jian; Shi, Yu-Jun; Zhang, Kou-Lin; You, Xiao-Zeng
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 6
• Pages of publication: 772
• a: 22.057 ± 0.003 Å
• b: 22.057 ± 0.003 Å
• c: 14.125 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6872 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 9
• Space group number: 138
• Hermann-Mauguin space group symbol: P 42/n c m :2
• Hall space group symbol: -P 4ac 2ac
• Residual factor for all reflections: 0.2104
• Residual factor for significantly intense reflections: 0.0784
• Weighted residual factors for significantly intense reflections: 0.1817
• Weighted residual factors for all reflections included in the refinement: 0.2437
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No