Information card for entry 4517885

Structure parameters

• Formula: C18 H15 Cu N5 O6
• Calculated formula: C18 H15 Cu N5 O6
• Title of publication: Unprecedented High Temperature CO2 Selectivity and Effective Chemical Fixation by a Copper-Based Undulated Metal-Organic Framework.
• Authors of publication: Das, Prasenjit; Mandal, Sanjay K.
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2020
• a: 11.8293 ± 0.0013 Å
• b: 27.142 ± 0.003 Å
• c: 21.819 ± 0.002 Å
• α: 90°
• β: 96.844 ± 0.008°
• γ: 90°
• Cell volume: 6955.5 ± 1.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.1828
• Residual factor for significantly intense reflections: 0.1179
• Weighted residual factors for significantly intense reflections: 0.3286
• Weighted residual factors for all reflections included in the refinement: 0.3721
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No