Information card for entry 4121096

Structure parameters

• Common name: Molecular Analogue of COF-320
• Formula: C78 H58 Cl2 N4
• Calculated formula: C78 H58 Cl2 N4
• Title of publication: Single-Crystal Structure of a Covalent Organic Framework
• Authors of publication: Yue-Biao Zhang; Jie Su; Hiroyasu Furukawa; Yifeng Yun; Felipe Gándara; Adam Duong; Xiaodong Zou; Omar M. Yaghi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 16336 - 16339
• a: 28.7128 ± 0.0012 Å
• b: 28.7128 ± 0.0012 Å
• c: 7.4609 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6151 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0736
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1193
• Weighted residual factors for all reflections included in the refinement: 0.1343
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No