Information card for entry 7234015

Structure parameters

• Formula: C40 H58 Cu2 N6 O17
• Calculated formula: C22 H10 Cu2 O10
• Title of publication: Tailoring the structures and gas adsorption properties of copper-bent diisophthalate frameworks by substituent-driven ligand conformation regulation strategy
• Authors of publication: He, Minghui; Gao, Xiaoxia; Xu, Tingting; Jiang, Zhenzhen; He, Yabing
• Journal of publication: CrystEngComm
• Year of publication: 2019
• a: 24.9038 ± 0.001 Å
• b: 33.4493 ± 0.0012 Å
• c: 18.3388 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 15276.5 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 36
• Hermann-Mauguin space group symbol: C m c 21
• Hall space group symbol: C 2c -2
• Residual factor for all reflections: 0.047
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1253
• Weighted residual factors for all reflections included in the refinement: 0.1285
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No