Information card for entry 7043098

Structure parameters

• Formula: C26 H17 Cu2 N O10
• Calculated formula: C28 H13 Cu2 N O10
• Title of publication: A Porous Metal-Organic Framework Based on an Asymmetric Angular Diisophthalate for Selective Adsorption of C2H2 and CO2 over CH4
• Authors of publication: Jiao, Jingjing; Jiang, Donghao; Chen, Fengli; Bai, Dongjie; He, Yabing
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 18.7251 ± 0.0003 Å
• b: 18.7251 ± 0.0003 Å
• c: 23.3446 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 7088.7 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 194
• Hermann-Mauguin space group symbol: P 63/m m c
• Hall space group symbol: -P 6c 2c
• Residual factor for all reflections: 0.1074
• Residual factor for significantly intense reflections: 0.0856
• Weighted residual factors for significantly intense reflections: 0.2188
• Weighted residual factors for all reflections included in the refinement: 0.2399
• Goodness-of-fit parameter for all reflections included in the refinement: 1.229
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No