Information card for entry 4347968

Structure parameters

• Formula: C12 H16 Cu N10 O6
• Calculated formula: C12 H16 Cu N10 O6
• SMILES: [Cu]([n]1c[nH]cc1)([n]1c[nH]cc1)([n]1c[nH]cc1)[n]1c[nH]cc1.N(=O)(=O)[O-].N(=O)(=O)[O-]
• Title of publication: Mixed-Metal Zeolitic Imidazolate Frameworks and their Selective Capture of Wet Carbon Dioxide over Methane.
• Authors of publication: Nguyen, Nhung T. T.; Lo, Tien N. H.; Kim, Jaheon; Nguyen, Huong T. D.; Le, Toan B.; Cordova, Kyle E.; Furukawa, Hiroyasu
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 12
• Pages of publication: 6201 - 6207
• a: 13.62 ± 0.003 Å
• b: 9.7851 ± 0.0019 Å
• c: 13.282 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1770.1 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0234
• Residual factor for significantly intense reflections: 0.0224
• Weighted residual factors for significantly intense reflections: 0.057
• Weighted residual factors for all reflections included in the refinement: 0.0583
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No