Information card for entry 4306599

Structure parameters

• Common name: [Fe(OEP-CH2-CH2-OEP)]2O, 3b
• Formula: C155 H188 Fe4 N16 O2
• Calculated formula: C155 H188 Fe4 N16 O2
• Title of publication: Remarkably Bent, Ethane-Linked, Diiron(III) μ-Oxobisporphyrin: Synthesis, Structure, Conformational Switching, and Photocatalytic Oxidation
• Authors of publication: Sudip Kumar Ghosh; Ranjan Patra; Sankar Prasad Rath
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 10196 - 10198
• a: 16.4668 ± 0.0008 Å
• b: 15.3828 ± 0.0007 Å
• c: 26.77 ± 0.0013 Å
• α: 90°
• β: 97.397 ± 0.001°
• γ: 90°
• Cell volume: 6724.6 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0983
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.1346
• Weighted residual factors for all reflections included in the refinement: 0.1576
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No