Information card for entry 4128908

Structure parameters

• Formula: C64 Cl22 N16 Ni14 O47 Zr6
• Calculated formula: C64 Cl22 N16 Ni14 O47 Zr6
• Title of publication: Crystallographic Visualization of Postsynthetic Nickel Clusters into Metal-Organic Framework.
• Authors of publication: Wang, Xiao-Ning; Zhang, Peng; Kirchon, Angelo; Li, Jia-Luo; Chen, Wen-Miao; Zhao, Yu-Meng; Li, Bao; Zhou, Hong-Cai
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 34
• Pages of publication: 13654 - 13663
• a: 31.4535 ± 0.0018 Å
• b: 19.638 ± 0.0012 Å
• c: 21.9912 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13583.6 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.04 K
• Number of distinct elements: 6
• Space group number: 58
• Hermann-Mauguin space group symbol: P n n m
• Hall space group symbol: -P 2 2n
• Residual factor for all reflections: 0.1758
• Residual factor for significantly intense reflections: 0.1463
• Weighted residual factors for significantly intense reflections: 0.4141
• Weighted residual factors for all reflections included in the refinement: 0.4454
• Goodness-of-fit parameter for all reflections included in the refinement: 1.925
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No