Information card for entry 4346656

Structure parameters

• Chemical name: CuCPB2
• Formula: C63 H61 Cu3 N3 O17
• Calculated formula: C63 H61 Cu3 N3 O17
• 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: 12.6325 ± 0.0004 Å
• b: 17.4726 ± 0.0006 Å
• c: 27.9667 ± 0.0009 Å
• α: 91.275 ± 0.002°
• β: 92.433 ± 0.002°
• γ: 106.1 ± 0.002°
• Cell volume: 5921.7 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1312
• Residual factor for significantly intense reflections: 0.1072
• Weighted residual factors for significantly intense reflections: 0.21
• Weighted residual factors for all reflections included in the refinement: 0.2201
• Goodness-of-fit parameter for all reflections included in the refinement: 1.148
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No