Information card for entry 7061575

Structure parameters

• Formula: C338 H427 F66 N91 O78 Si11 Zn12
• Calculated formula: C324 H278 F66 N84 O14 Si11 Zn12
• 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: 36.301 ± 0.004 Å
• b: 36.301 ± 0.004 Å
• c: 29.712 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 33908 ± 6 ų
• Cell temperature: 193 K
• Ambient diffraction temperature: 193 K
• Number of distinct elements: 7
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1012
• Residual factor for significantly intense reflections: 0.0607
• Weighted residual factors for significantly intense reflections: 0.1638
• Weighted residual factors for all reflections included in the refinement: 0.1891
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No