Information card for entry 7110061

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: 25.74 ± 0.03 Å
• b: 12.614 ± 0.0019 Å
• c: 8.2015 ± 0.0019 Å
• α: 90°
• β: 101.42 ± 0.06°
• γ: 90°
• Cell volume: 2610 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Ambient diffracton pressure: 4500000 ± 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: 0.1366
• Residual factor for significantly intense reflections: 0.1074
• Weighted residual factors for significantly intense reflections: 0.2834
• Weighted residual factors for all reflections included in the refinement: 0.3013
• Goodness-of-fit parameter for all reflections included in the refinement: 1.145
• Diffraction radiation wavelength: 0.30969 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No