Information card for entry 7020846

Structure parameters

• Formula: C11.17 H18.02 Cu2 N0.25 O10
• Calculated formula: C11.1666 H2 Cu2 N0.25 O10
• Title of publication: Synthesis of a honeycomb-like Cu-based metal-organic framework and its carbon dioxide adsorption behaviour.
• Authors of publication: Sanz, Raúl; Martínez, Fernando; Orcajo, Gisela; Wojtas, Lukasz; Briones, David
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 7
• Pages of publication: 2392 - 2398
• a: 25.9972 ± 0.0011 Å
• b: 25.9972 ± 0.0011 Å
• c: 6.2587 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3663.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0689
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1107
• Weighted residual factors for all reflections included in the refinement: 0.1198
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No