Information card for entry 4134892

Structure parameters

• Formula: C120 H112 Fe4 N4 O24
• Calculated formula: C120 H112 Fe4 N4 O24
• 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: 16.696 ± 0.004 Å
• b: 21.624 ± 0.005 Å
• c: 16.696 ± 0.004 Å
• α: 90°
• β: 120°
• γ: 90°
• Cell volume: 5220 ± 2 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.2383
• Residual factor for significantly intense reflections: 0.1765
• Weighted residual factors for significantly intense reflections: 0.3935
• Weighted residual factors for all reflections included in the refinement: 0.4497
• Goodness-of-fit parameter for all reflections included in the refinement: 1.285
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No