Information card for entry 4134894

Structure parameters

• Formula: C26 H20 Cu N O6
• Calculated formula: C26 H20 Cu N O6
• 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: 12.8598 ± 0.0008 Å
• b: 29.261 ± 0.0014 Å
• c: 13.8247 ± 0.0007 Å
• α: 90°
• β: 103.98 ± 0.006°
• γ: 90°
• Cell volume: 5048 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.1225
• Residual factor for significantly intense reflections: 0.1199
• Weighted residual factors for significantly intense reflections: 0.3179
• Weighted residual factors for all reflections included in the refinement: 0.3203
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No