Information card for entry 7237163

Structure parameters

• Formula: C96 H48 Cl2 Cu4.5 N40 O0.5
• Calculated formula: C96 H48 Cl2 Cu4.5 N40 O0.5
• Title of publication: A stable metal cluster-metalloporphyrin MOF with high capacity for cationic dye removal
• Authors of publication: Wang, Zheng; Zhang, Jian-Hua; Jiang, Ji-Jun; Wang, Hai-Ping; Wei, Zhang-Wen; Zhu, Xunjin; Pan, Mei; Su, Cheng-Yong
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2018
• Journal volume: 6
• Journal issue: 36
• Pages of publication: 17698
• a: 16.9552 ± 0.001 Å
• b: 19.4089 ± 0.001 Å
• c: 18.5986 ± 0.0009 Å
• α: 90°
• β: 99.771 ± 0.004°
• γ: 90°
• Cell volume: 6031.7 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 10
• Hermann-Mauguin space group symbol: P 1 2/m 1
• Hall space group symbol: -P 2y
• Residual factor for all reflections: 0.1904
• Residual factor for significantly intense reflections: 0.136
• Weighted residual factors for significantly intense reflections: 0.2756
• Weighted residual factors for all reflections included in the refinement: 0.2927
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No