Information card for entry 7701452

Structure parameters

• Formula: C52 H58 Cu4 N4 O26
• Calculated formula: C40 H18 Cu4 O20
• Title of publication: Rational construction and remarkable gas adsorption properties of a HKUST-1-like tbo-type MOF based on a tetraisophthalate linker
• Authors of publication: Gao, Xiaoxia; Xu, Tingting; Jiang, Zhenzhen; Yu, Honggui; Wang, Yingjie; He, Yabing
• Journal of publication: Dalton Transactions
• Year of publication: 2019
• a: 19.0416 ± 0.001 Å
• b: 19.0416 ± 0.001 Å
• c: 18.643 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6759.6 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 139
• Hermann-Mauguin space group symbol: I 4/m m m
• Hall space group symbol: -I 4 2
• Residual factor for all reflections: 0.0775
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1394
• Weighted residual factors for all reflections included in the refinement: 0.1553
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No