Information card for entry 7012755

Structure parameters

• Formula: C4 H30 Mo8 N O30.5 S4
• Calculated formula: C4 H8 Mo8 N O30.5 S4
• Title of publication: [Mo8S4O12(OH)8(C2O4)]: a novel polyoxothiomolybdate ring synthesized via a hydrothermal method
• Authors of publication: Zhan, Xiao-Ping; Lu, Can-Zhong; Yang, Wen-Bin; Ma, Hong-Wei; Wu, Chuan-De; Zhang, Quan-Zheng
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 8
• Pages of publication: 1457
• a: 14.864 ± 0.0007 Å
• b: 14.864 ± 0.0007 Å
• c: 21.4507 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4739.3 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 126
• Hermann-Mauguin space group symbol: P 4/n n c :2
• Hall space group symbol: -P 4a 2bc
• Residual factor for all reflections: 0.1011
• Residual factor for significantly intense reflections: 0.0659
• Weighted residual factors for significantly intense reflections: 0.2534
• Weighted residual factors for all reflections included in the refinement: 0.3075
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No