Information card for entry 4503409

Structure parameters

• Formula: C60 H76 Cu2 N16 O26
• Calculated formula: C60 H76 Cu2 N16 O26
• Title of publication: Self-Assembly of Discrete and Polymeric Metal-Organic Frameworks via a Semirigid Glycoluril-Based Molecular Clip
• Authors of publication: Li, Yitao; Meng, Xianggao; Cao, Liping; Wang, Yuzhou; Yin, Guodong; Gao, Meng; Wen, Lili; Wu, Anxin
• Journal of publication: Crystal Growth & Design
• Year of publication: 2008
• Journal volume: 8
• Journal issue: 5
• Pages of publication: 1645
• a: 7.886 ± 0.0012 Å
• b: 13.799 ± 0.002 Å
• c: 33.903 ± 0.005 Å
• α: 90°
• β: 96.68°
• γ: 90°
• Cell volume: 3664.2 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1182
• Residual factor for significantly intense reflections: 0.0791
• Weighted residual factors for significantly intense reflections: 0.2009
• Weighted residual factors for all reflections included in the refinement: 0.2244
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No