Information card for entry 7212784

Structure parameters

• Formula: C8 H62 Mo6 N8 O40 P4
• Calculated formula: C8 H38 Mo6 N8 O40 P4
• Title of publication: Spontaneous resolution of a new diphosphonate-functionalized polyoxomolybdate
• Authors of publication: Tan, Hua-Qiao; Chen, Wei-Lin; Liu, Ding; Li, Yang-Guang; Wang, En-Bo
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 12
• Pages of publication: 4017
• a: 14.615 ± 0.003 Å
• b: 17.148 ± 0.003 Å
• c: 9.6756 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2424.9 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0424
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.1046
• Weighted residual factors for all reflections included in the refinement: 0.1066
• 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: Yes
• Has Fobs: No