Information card for entry 4134893

Structure parameters

• Formula: C52 H44 N2 O14 Zn2
• Calculated formula: C52 H44 N2 O14 Zn2
• 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: 29.1139 ± 0.0009 Å
• b: 16.3925 ± 0.0005 Å
• c: 11.4361 ± 0.0003 Å
• α: 90°
• β: 99.919 ± 0.002°
• γ: 90°
• Cell volume: 5376.3 ± 0.3 ų
• Cell temperature: 100.01 ± 0.17 K
• Ambient diffraction temperature: 100.01 ± 0.17 K
• 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: 0.0483
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1532
• Weighted residual factors for all reflections included in the refinement: 0.156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.144
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No