Information card for entry 7232667

Structure parameters

• Formula: C24 H18 Cu2 O10
• Calculated formula: C24 H14 Cu2 O10
• Title of publication: Two copper-based MOFs constructed from a linear diisophthalate linker: supramolecular isomerism and gas adsorption properties
• Authors of publication: He, Minghui; Xu, Tingting; Jiang, Zhenzhen; Yu, Xinjian; Zou, Ying; Yang, Luyao; Wang, Xiaojuan; Wang, Xia; He, Yabing
• Journal of publication: CrystEngComm
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 20
• Pages of publication: 3192
• a: 18.826 ± 0.0008 Å
• b: 18.826 ± 0.0008 Å
• c: 27.3427 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9690.8 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 136
• Hermann-Mauguin space group symbol: P 42/m n m
• Hall space group symbol: -P 4n 2n
• Residual factor for all reflections: 0.0843
• Residual factor for significantly intense reflections: 0.0726
• Weighted residual factors for significantly intense reflections: 0.308
• Weighted residual factors for all reflections included in the refinement: 0.3394
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No