Information card for entry 7112592

Structure parameters

• Formula: C13 H8 Cu N3 O5
• Calculated formula: C13 H8 Cu N3 O5
• 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: 18.1402 ± 0.001 Å
• b: 18.1402 ± 0.001 Å
• c: 18.114 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5162.1 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 150
• Hermann-Mauguin space group symbol: P 3 2 1
• Hall space group symbol: P 3 2"
• Residual factor for all reflections: 0.1497
• Residual factor for significantly intense reflections: 0.0773
• Weighted residual factors for significantly intense reflections: 0.168
• Weighted residual factors for all reflections included in the refinement: 0.1845
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7112281
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No