Information card for entry 4512836

Structure parameters

• Formula: C34 H20 Fe1.5 N4 O4
• Calculated formula: C34 H20 Fe1.5 N4 O4
• 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: 16.6489 ± 0.0009 Å
• b: 16.6489 ± 0.0009 Å
• c: 25.194 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6983.4 ± 1 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 139
• Hermann-Mauguin space group symbol: I 4/m m m
• Hall space group symbol: -I 4 2
• Residual factor for all reflections: 0.1236
• Residual factor for significantly intense reflections: 0.0851
• Weighted residual factors for all reflections: 0.1125
• Weighted residual factors for significantly intense reflections: 0.0937
• Weighted residual factors for all reflections included in the refinement: 0.0932
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9906
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No