Information card for entry 7112593

Structure parameters

• Formula: C53.54 H26.38 Cu6 N8.3 O30
• Calculated formula: C53.5365 H26.184 Cu6 N8.304 O30
• Title of publication: 'Click'-extended nitrogen-rich metal-organic frameworks and their high performance in CO2-selective capture
• Authors of publication: Pei-Zhou Li; Xiao-Jun Wang; Kang Zhang; Anjaiah Nalaparaju; Ruyi Zou; Ruqiang Zou; Jianwen Jiang; Yanli Zhao
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 4683
• a: 49.188 ± 0.0006 Å
• b: 37.4243 ± 0.0004 Å
• c: 16.0489 ± 0.0002 Å
• α: 90°
• β: 103.491 ± 0.001°
• γ: 90°
• Cell volume: 28728 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0789
• Residual factor for significantly intense reflections: 0.0727
• Weighted residual factors for significantly intense reflections: 0.3133
• Weighted residual factors for all reflections included in the refinement: 0.3201
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Duplicate of: 7112282
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No