Information card for entry 7225284

Structure parameters

• Formula: C48 H40 Cu2 Mo8 N16 O26
• Calculated formula: C48 H40 Cu2 Mo8 N16 O26
• Title of publication: pH-Dependent assembly of three novel inorganic‒organic hybrids based on different isopolymolybdates and CuI/II(bbx)nunits
• Authors of publication: Wu, Panfeng; Xue, Qi; Dong, Xinbo; Zhang, Yanjie; Liu, Bin; Hu, Huaiming; Xue, Ganglin
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 28
• Pages of publication: 5320
• a: 12.795 ± 0.003 Å
• b: 17.242 ± 0.004 Å
• c: 16.094 ± 0.004 Å
• α: 90°
• β: 111.687 ± 0.004°
• γ: 90°
• Cell volume: 3299.2 ± 1.4 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: 0.0614
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0871
• Weighted residual factors for all reflections included in the refinement: 0.0973
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No