Information card for entry 4336972

Structure parameters

• Formula: C12 H82 Mo12 N10 O69 Se2
• Calculated formula: C12 H12 Mo12 N10 O69 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: 11.329 ± 0.005 Å
• b: 16.31 ± 0.008 Å
• c: 23.618 ± 0.011 Å
• α: 86.496 ± 0.009°
• β: 77.384 ± 0.008°
• γ: 71.585 ± 0.008°
• Cell volume: 4040 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0898
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1089
• Weighted residual factors for all reflections included in the refinement: 0.1205
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No