Information card for entry 4134891

Structure parameters

• Formula: C32 H31 Cu N2 O10
• Calculated formula: C32 H31 Cu N2 O10
• Title of publication: Metal-Organic Frameworks with Hexakis(4-carboxyphenyl)benzene - Extensions to Reticular Chemistry and Introducing Foldable Nets.
• Authors of publication: Amombo Noa, Francoise M.; Svensson Grape, Erik; Brülls, Steffen M; Cheung, Ocean; Malmberg, Per; Inge, A. Ken; McKenzie, Christine J.; Mårtensson, Jerker; Ohrstrom, Lars
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 7.9251 ± 0.0009 Å
• b: 12.738 ± 0.0014 Å
• c: 16.6928 ± 0.0019 Å
• α: 74.195 ± 0.003°
• β: 86.514 ± 0.003°
• γ: 82.047 ± 0.003°
• Cell volume: 1605.4 ± 0.3 ų
• Cell temperature: 206 ± 2 K
• Ambient diffraction temperature: 206 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0895
• Residual factor for significantly intense reflections: 0.0773
• Weighted residual factors for significantly intense reflections: 0.2033
• Weighted residual factors for all reflections included in the refinement: 0.2086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.18
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No