Information card for entry 4346653

Structure parameters

• Chemical name: CuCPB1
• Formula: C57 H47 Cu3 N3 O16
• Calculated formula: C57 H47 Cu3 N3 O16
• Title of publication: Synthesis and Selective CO2 Capture Properties of a Series of Hexatopic Linker-Based Metal-Organic Frameworks.
• Authors of publication: Nguyen, Phuong T. K.; Nguyen, Huong T. D.; Pham, Hung Q.; Kim, Jaheon; Cordova, Kyle E.; Furukawa, Hiroyasu
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 20
• Pages of publication: 10065 - 10072
• a: 11.54 ± 0.003 Å
• b: 16.778 ± 0.004 Å
• c: 28.468 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5512 ± 2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1413
• Residual factor for significantly intense reflections: 0.1289
• Weighted residual factors for significantly intense reflections: 0.2992
• Weighted residual factors for all reflections included in the refinement: 0.309
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No