Information card for entry 7700392

Structure parameters

• Formula: C37 H52 Cu2 N6 O17
• Calculated formula: C22 H15 Cu2 N O11
• Title of publication: A lactam-functionalized copper bent diisophthalate framework displaying significantly enhanced adsorption of CO₂ and C₂H₂ over CH₄.
• Authors of publication: He, Minghui; Xia, Fengjie; Xu, Tingting; Gao, Xiaoxia; Jiang, Zhenzhen; Wang, Xia; He, Yabing
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 30
• Pages of publication: 11374 - 11381
• a: 24.7465 ± 0.0012 Å
• b: 33.4859 ± 0.0014 Å
• c: 18.4434 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 15283.3 ± 1.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 63
• Hermann-Mauguin space group symbol: C m c m
• Hall space group symbol: -C 2c 2
• Residual factor for all reflections: 0.0875
• Residual factor for significantly intense reflections: 0.0688
• Weighted residual factors for significantly intense reflections: 0.2074
• Weighted residual factors for all reflections included in the refinement: 0.2255
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No