Information card for entry 4512837

Structure parameters

• Formula: C51 H34 Cs Fe2 N5 O11
• Calculated formula: C51 H34 Cs Fe2 N5 O11
• 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: 7.4416 ± 0.0005 Å
• b: 24.8056 ± 0.0016 Å
• c: 30.314 ± 0.002 Å
• α: 90°
• β: 91.637 ± 0.006°
• γ: 90°
• Cell volume: 5593.5 ± 0.6 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• 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: 0.1236
• Residual factor for significantly intense reflections: 0.101
• Weighted residual factors for all reflections: 0.1218
• Weighted residual factors for significantly intense reflections: 0.1042
• Weighted residual factors for all reflections included in the refinement: 0.1
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0806
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No