Information card for entry 4129976

Structure parameters

• Formula: C61 H91 Cu2 N7 O21
• Calculated formula: C40 H30 Cu2 O10
• Title of publication: Non-Interpenetrated Metal-Organic Frameworks Based on Copper(II) Paddlewheel and Oligoparaxylene-Isophthalate Linkers: Synthesis, Structure, and Gas Adsorption.
• Authors of publication: Yan, Yong; Juríček, Michal; Coudert, François-Xavier; Vermeulen, Nicolaas A.; Grunder, Sergio; Dailly, Anne; Lewis, William; Blake, Alexander J.; Stoddart, J. Fraser; Schröder, Martin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 10
• Pages of publication: 3371 - 3381
• a: 18.3194 ± 0.0005 Å
• b: 18.3194 ± 0.0005 Å
• c: 65.6209 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 19072 ± 0.9 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.15
• Residual factor for significantly intense reflections: 0.144
• Weighted residual factors for significantly intense reflections: 0.406
• Weighted residual factors for all reflections included in the refinement: 0.42
• Goodness-of-fit parameter for all reflections included in the refinement: 1.95
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No