Information card for entry 4500783

Structure parameters

• Formula: C168 H156 Cl5 Cu17 N60 O6
• Calculated formula: C168 Cl5 Cu17 N60 O6
• Title of publication: Microporous Metal‒Organic Frameworks: Structures, in Situ Formation of Ligand, and Crystal-to-Crystal Transformations
• Authors of publication: Fang, Zhen-Lan; Yu, Rong-Min; Wu, Xiao-Yuan; Huang, Jing-Shun; Lu, Can-Zhong
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 6
• Pages of publication: 2546
• a: 19.973 ± 0.002 Å
• b: 38.081 ± 0.004 Å
• c: 24.667 ± 0.005 Å
• α: 90°
• β: 109.31 ± 0.001°
• γ: 90°
• Cell volume: 17706 ± 4 ų
• Cell temperature: 88 ± 2 K
• Ambient diffraction temperature: 88 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0694
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for significantly intense reflections: 0.2347
• Weighted residual factors for all reflections included in the refinement: 0.2511
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No