Information card for entry 7117756

Structure parameters

• Formula: C54 H18 N0 O41 Zn9
• Calculated formula: C54 H18 O41 Zn9
• Title of publication: Two microporous MOFs constructed from different metal cluster SBUs for selective gas adsorption
• Authors of publication: Yun-Wu Li; Jian Xu; Da-Cheng Li; Jian-Min Dou; Hui Yan; Tong-Liang Hu; Xian-He Bu
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 14211
• a: 23.503 ± 0.003 Å
• b: 23.503 ± 0.003 Å
• c: 23.503 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12983 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 197
• Hermann-Mauguin space group symbol: I 2 3
• Hall space group symbol: I 2 2 3
• Residual factor for all reflections: 0.0993
• Residual factor for significantly intense reflections: 0.0846
• Weighted residual factors for significantly intense reflections: 0.205
• Weighted residual factors for all reflections included in the refinement: 0.2141
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No