Information card for entry 1550665

Structure parameters

• Formula: C83 H99 Mn4 N13 O25
• Calculated formula: C83 H99 Mn4 N13 O25
• 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: 10.0867 ± 0.0001 Å
• b: 15.69 ± 0.0002 Å
• c: 15.2941 ± 0.0002 Å
• α: 90°
• β: 105.464 ± 0.001°
• γ: 90°
• Cell volume: 2332.82 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0473
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1312
• Weighted residual factors for all reflections included in the refinement: 0.1321
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No