Information card for entry 4344923

Structure parameters

• Formula: C36 H24 Cu7 I2 N8 O20
• Calculated formula: C36 H24 Cu7 I2 N8 O20
• Title of publication: Reticular Synthesis of a Series of HKUST-like MOFs with Carbon Dioxide Capture and Separation
• Authors of publication: He, Hongming; Sun, Fuxing; Ma, Shengqian; Zhu, Guangshan
• Journal of publication: Inorganic Chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 17
• Pages of publication: 9071 - 9076
• a: 17.9938 ± 0.0002 Å
• b: 17.9938 ± 0.0002 Å
• c: 22.1829 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7182.3 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 139
• Hermann-Mauguin space group symbol: I 4/m m m
• Hall space group symbol: -I 4 2
• Residual factor for all reflections: 0.0478
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.147
• Weighted residual factors for all reflections included in the refinement: 0.148
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No