Information card for entry 4134895

Structure parameters

• Formula: C64 H58 Fe4 N4 O20
• Calculated formula: C64 H58 Fe4 N4 O20
• 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: 29.1661 ± 0.0014 Å
• b: 16.1141 ± 0.0007 Å
• c: 13.9552 ± 0.0006 Å
• α: 90°
• β: 98.847 ± 0.001°
• γ: 90°
• Cell volume: 6480.7 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0626
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.0966
• Weighted residual factors for all reflections included in the refinement: 0.1051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No