Information card for entry 1554210

Structure parameters

• Formula: C5.5 H2.5 Cu0.5 N0.25 O3
• Calculated formula: C5.5 H2.5 Cu0.5 N0.25 O3
• Title of publication: Enhancing light hydrocarbon storage and separation through introducing Lewis basic nitrogen sites within a carboxylate-decorated copper‒organic framework
• Authors of publication: Liu, Xiuping; Fan, Weidong; Zhang, Minghui; Li, Guixia; Liu, Haijun; Sun, Daofeng; Zhao, Lianming; Zhu, Houyu; Guo, Wenyue
• Journal of publication: Materials Chemistry Frontiers
• Year of publication: 2018
• Journal volume: 2
• Journal issue: 6
• Pages of publication: 1146
• a: 18.5961 ± 0.0002 Å
• b: 18.5961 ± 0.0002 Å
• c: 38.21 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 11443.3 ± 0.3 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 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: 0.0705
• Residual factor for significantly intense reflections: 0.0642
• Weighted residual factors for significantly intense reflections: 0.2013
• Weighted residual factors for all reflections included in the refinement: 0.2083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No