Information card for entry 4349958

Structure parameters

• Formula: C297 H162 Cu24 O132
• Calculated formula: C296 H162 Cu24 O132
• Title of publication: A ligand conformation preorganization approach to construct a copper‒hexacarboxylate framework with a novel topology for selective gas adsorption
• Authors of publication: Wang, Yao; He, Minghui; Gao, Xiaoxia; Wang, Xia; Xu, Guohai; Zhang, Zhengyi; He, Yabing
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2019
• Journal volume: 6
• Journal issue: 1
• Pages of publication: 263
• a: 63.7383 ± 0.0015 Å
• b: 63.7383 ± 0.0015 Å
• c: 25.3645 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 89240 ± 4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 191
• Hermann-Mauguin space group symbol: P 6/m m m
• Hall space group symbol: -P 6 2
• Residual factor for all reflections: 0.137
• Residual factor for significantly intense reflections: 0.1174
• Weighted residual factors for significantly intense reflections: 0.2795
• Weighted residual factors for all reflections included in the refinement: 0.2881
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No