Information card for entry 4336975

Structure parameters

• Formula: C70 H210 Mo36 N42 O192 Se6
• Calculated formula: C70 H30 Mo36 N42 O192 Se6
• 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: 16.6345 ± 0.0016 Å
• b: 22.046 ± 0.002 Å
• c: 22.65 ± 0.004 Å
• α: 107.116 ± 0.003°
• β: 91.14 ± 0.003°
• γ: 111.423 ± 0.002°
• Cell volume: 7313.8 ± 1.6 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: 0.2214
• Residual factor for significantly intense reflections: 0.0797
• Weighted residual factors for significantly intense reflections: 0.1617
• Weighted residual factors for all reflections included in the refinement: 0.191
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No