Information card for entry 7240962

Structure parameters

• Formula: C108 H147 Cl2 Cu10 N11 O56
• Calculated formula: C64 H24 Cl0.75 Cu10 O44
• Title of publication: Construction and selective gas adsorption properties of two heteroSBU MOFs based on unsymmetrical tetracarboxylate linkers
• Authors of publication: Xu, Tingting; Fan, Lihui; Zhou, Ping; Jiang, Zhenzhen; Chen, Haonan; Lu, Huangyan; He, Yabing
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 26.5456 ± 0.0016 Å
• b: 44.633 ± 0.003 Å
• c: 26.5717 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 31482 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 65
• Hermann-Mauguin space group symbol: C m m m
• Hall space group symbol: -C 2 2
• Residual factor for all reflections: 0.1389
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for significantly intense reflections: 0.1571
• Weighted residual factors for all reflections included in the refinement: 0.1891
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No