Information card for entry 7061576

Structure parameters

• Formula: C247 H234 Ag13 N76 O53
• Calculated formula: C243 H188 Ag13 N74 O33
• Title of publication: Cationic metal–organic frameworks constructed from a trigonal imidazole-containing ligand for the removal of Cr2O72− in water
• Authors of publication: Chen, Zi-Peng; Li, Ding; Xu, Lei; Jiang, Yu-Fei; Lin, Kai; Zhao, Yue; Zhao, Jing
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 27
• Pages of publication: 12994 - 13000
• a: 15.2129 ± 0.0007 Å
• b: 27.1725 ± 0.0012 Å
• c: 34.125 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 14106.3 ± 1.1 ų
• Cell temperature: 193 K
• Ambient diffraction temperature: 193 K
• Number of distinct elements: 5
• Space group number: 48
• Hermann-Mauguin space group symbol: P n n n :2
• Hall space group symbol: -P 2ab 2bc
• Residual factor for all reflections: 0.0907
• Residual factor for significantly intense reflections: 0.0702
• Weighted residual factors for significantly intense reflections: 0.2279
• Weighted residual factors for all reflections included in the refinement: 0.249
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No