Information card for entry 4336971

Structure parameters

• Formula: C6 H57 Mo12 N9 O64 Se2
• Calculated formula: C6 Mo12 N9 O64 Se2
• Title of publication: Controlled Assembly of Inorganic-Organic Frameworks Based on [SeMo6O21]4- Polyanion
• Authors of publication: Donghui Yang; Suzhi Li; Pengtao Ma; Jingping Wang; Jingyang Niu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 14034 - 14039
• a: 11.9029 ± 0.0004 Å
• b: 13.8995 ± 0.0005 Å
• c: 22.6008 ± 0.0008 Å
• α: 96.057 ± 0.001°
• β: 98.763 ± 0.001°
• γ: 100.213 ± 0.001°
• Cell volume: 3603.1 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0474
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.1001
• Weighted residual factors for all reflections included in the refinement: 0.1059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No