Information card for entry 4512834

Structure parameters

• Formula: C52 H30 Fe3 N6 O10
• Calculated formula: C52 H30 Fe3 N6 O10
• Title of publication: Iron and Porphyrin Metal‒Organic Frameworks: Insight into Structural Diversity, Stability, and Porosity
• Authors of publication: Fateeva, Alexandra; Clarisse, Jade; Pilet, Guillaume; Grenèche, Jean-Marc; Nouar, Farid; Abeykoon, Brian K.; Guegan, Frédéric; Goutaudier, Christelle; Luneau, Dominique; Warren, John E.; Rosseinsky, Matthew J.; Devic, Thomas
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 4
• Pages of publication: 1819
• a: 6.8353 ± 0.0016 Å
• b: 32.355 ± 0.004 Å
• c: 16.896 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3736.7 ± 1.1 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 65
• Hermann-Mauguin space group symbol: C m m m
• Hall space group symbol: -C 2 2
• Residual factor for all reflections: 0.1727
• Residual factor for significantly intense reflections: 0.0942
• Weighted residual factors for all reflections: 0.0783
• Weighted residual factors for significantly intense reflections: 0.0711
• Weighted residual factors for all reflections included in the refinement: 0.0698
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0607
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No