Information card for entry 7236324

Structure parameters

• Formula: C11.5 H4 Cu N0 O6
• Calculated formula: C11.5 H4 Cu O6
• Title of publication: A NbO-type copper metal‒organic framework decorated with carboxylate groups exhibiting highly selective CO2adsorption and separation of organic dyes
• Authors of publication: Liu, Xiuping; Xiao, Zhenyu; Xu, Jing; Xu, Wenbin; Sang, Pengpeng; Zhao, Lianming; Zhu, Houyu; Sun, Daofeng; Guo, Wenyue
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2016
• Journal volume: 4
• Journal issue: 36
• Pages of publication: 13844
• a: 18.6923 ± 0.0004 Å
• b: 18.6923 ± 0.0004 Å
• c: 38.2023 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 11559.7 ± 0.4 ų
• Cell temperature: 150.02 ± 0.1 K
• Ambient diffraction temperature: 150.02 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 166
• Hermann-Mauguin space group symbol: R -3 m :H
• Hall space group symbol: -R 3 2"
• Residual factor for all reflections: 0.0833
• Residual factor for significantly intense reflections: 0.0789
• Weighted residual factors for significantly intense reflections: 0.2742
• Weighted residual factors for all reflections included in the refinement: 0.2887
• Goodness-of-fit parameter for all reflections included in the refinement: 1.344
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No