Information card for entry 1550675

Structure parameters

• Formula: C80 H44 N4 O24 Zn5
• Calculated formula: C80 H44 N4 O24 Zn5
• Title of publication: Constructing New Metal-Organic Frameworks with Complicated Ligands Generated from “One-Pot” In Situ Reactions
• Authors of publication: Kong, Xiang-Jing; He, Tao; Zhang, Yongzheng; Wu, Xue-Qian; Wang, Si-Nan; Xu, Ming-Ming; Si, Guang-Rui; Li, Jian-Rong Jeff
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 54.3601 ± 0.001 Å
• b: 54.3601 ± 0.001 Å
• c: 42.0659 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 107652 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.146
• Residual factor for significantly intense reflections: 0.0938
• Weighted residual factors for significantly intense reflections: 0.2655
• Weighted residual factors for all reflections included in the refinement: 0.3082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No