Information card for entry 7120923

Structure parameters

• Formula: C66 H33 Cu6 N3 O30
• Calculated formula: C66 H33 Cu6 N3 O30
• Title of publication: A Cu(II)-MOF Capable of Fixing CO2 From Air and Showing High Capacity H2 and CO2 Adsorption
• Authors of publication: Sharma, Vivekanand; De, Dinesh; Saha, Ranajit; Das, Ranjita; Chattaraj, Pratim K.; Bharadwaj, Parimal K.
• Journal of publication: Chemical Communications
• Year of publication: 2017
• a: 24.8326 ± 0.0016 Å
• b: 33.3574 ± 0.0016 Å
• c: 18.3852 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 15229.4 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 36
• Hermann-Mauguin space group symbol: C m c 21
• Hall space group symbol: C 2c -2
• Residual factor for all reflections: 0.0949
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.1392
• Weighted residual factors for all reflections included in the refinement: 0.1529
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No