Information card for entry 7110060

Structure parameters

• Formula: C23 H26 Cu2 N2 O8
• Calculated formula: C23 H26 Cu2 N2 O8
• Title of publication: Modular structure of a robust microporous MOF based on Cu2 paddle-wheels with high CO2 selectivity
• Authors of publication: Jose M. Seco; David Fairen-Jimenez; Antonio J. Calahorro; Laura Mendez-Linan; Manuel Perez-Mendoza; Nicola Casati; Enrique Colacio; Antonio Rodriguez-Dieguez
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 11329
• a: 26.161 ± 0.015 Å
• b: 12.7057 ± 0.0012 Å
• c: 8.2557 ± 0.001 Å
• α: 90°
• β: 102.02 ± 0.03°
• γ: 90°
• Cell volume: 2684 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Ambient diffracton pressure: 3600000 ± 100000 kPa
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1197
• Residual factor for significantly intense reflections: 0.1027
• Weighted residual factors for significantly intense reflections: 0.2909
• Weighted residual factors for all reflections included in the refinement: 0.3099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.146
• Diffraction radiation wavelength: 0.30969 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No