Information card for entry 4349866

Structure parameters

• Formula: C50 H22 Cu3 O15
• Calculated formula: C50 H22 Cu3 O15
• Title of publication: Solvent-induced framework-interpenetration isomers of Cu MOFs for efficient light hydrocarbon separation
• Authors of publication: Wang, Yutong; Fan, Weidong; Wang, Xia; Han, Yinfeng; Zhang, Liangliang; Liu, Di; Dai, Fangna; Sun, Daofeng
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2018
• Journal volume: 5
• Journal issue: 10
• Pages of publication: 2408
• a: 31.038 ± 0.002 Å
• b: 31.038 ± 0.002 Å
• c: 20.6449 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 19888 ± 3 ų
• Cell temperature: 162.89 ± 0.1 K
• Ambient diffraction temperature: 162.89 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 87
• Hermann-Mauguin space group symbol: I 4/m
• Hall space group symbol: -I 4
• Residual factor for all reflections: 0.2211
• Residual factor for significantly intense reflections: 0.1103
• Weighted residual factors for significantly intense reflections: 0.3025
• Weighted residual factors for all reflections included in the refinement: 0.3261
• Goodness-of-fit parameter for all reflections included in the refinement: 0.865
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No