Information card for entry 4336973

Structure parameters

• Formula: C18 H80 Mo12 N10 O62 Se2
• Calculated formula: C18 H24 Mo12 N10 O62 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: 18.3195 ± 0.001 Å
• b: 27.2576 ± 0.0015 Å
• c: 19.4976 ± 0.0011 Å
• α: 90°
• β: 114.591 ± 0.001°
• γ: 90°
• Cell volume: 8853 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0874
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.173
• Weighted residual factors for all reflections included in the refinement: 0.1931
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No