Information card for entry 7219118

Structure parameters

• Formula: C25 H23 Cu2 Mo12 N6 O40 P
• Calculated formula: C25 H16 Cu2 Mo12 N6 O40 P
• Title of publication: Secondary organic moiety templated organic‒inorganic polyoxometalate-based frameworks
• Authors of publication: Xiao, Li-Na; Wang, La-Mei; Shan, Xiao-Nan; Guo, Hai-Yang; Fu, Li-Wei; Hu, Yang-Yang; Cui, Xiao-Bing; Li, Ke-Chang; Xu, Ji-Qing
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 6
• Pages of publication: 1336
• a: 10.8252 ± 0.0014 Å
• b: 10.8613 ± 0.0014 Å
• c: 23.243 ± 0.003 Å
• α: 90°
• β: 104.379 ± 0.005°
• γ: 90°
• Cell volume: 2647.2 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.071
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.1359
• Weighted residual factors for all reflections included in the refinement: 0.1454
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No