Information card for entry 1567794

Structure parameters

• Formula: C21.5 H25 Cu N6.75 O7
• Calculated formula: C21.5 H25 Cu N6.75 O7
• Title of publication: Spatial disposition of square-planar mononuclear nodes in metal-organic frameworks for C₂H₂/CO₂ separation.
• Authors of publication: Zeng, Heng; Xie, Xiao-Jing; Wang, Ying; Luo, Dong; Wei, Rong-Jia; Lu, Weigang; Li, Dan
• Journal of publication: Chemical science
• Year of publication: 2022
• Journal volume: 13
• Journal issue: 43
• Pages of publication: 12876 - 12882
• a: 14.2321 ± 0.0001 Å
• b: 13.2378 ± 0.0001 Å
• c: 14.6287 ± 0.0002 Å
• α: 90°
• β: 93.153 ± 0.001°
• γ: 90°
• Cell volume: 2751.9 ± 0.05 ų
• Cell temperature: 100.01 ± 0.11 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1217
• Residual factor for significantly intense reflections: 0.1134
• Weighted residual factors for significantly intense reflections: 0.2897
• Weighted residual factors for all reflections included in the refinement: 0.296
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No