Information card for entry 7240961

Structure parameters

• Formula: C51.5 H67.5 Cu4 N6.5 O27.5
• Calculated formula: C41 H41 Cu4 N3 O23
• 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: 19.3334 ± 0.001 Å
• b: 25.6921 ± 0.0012 Å
• c: 15.8595 ± 0.0013 Å
• α: 90°
• β: 123.08 ± 0.002°
• γ: 90°
• Cell volume: 6600.8 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0524
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.203
• Weighted residual factors for all reflections included in the refinement: 0.2133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No