Information card for entry 4350346

Structure parameters

• Common name: (Im)2Fe(OEPO).2THF
• Formula: C50 H67 Fe N8 O3
• Calculated formula: C50 H67 Fe N8 O3
• Title of publication: Electron distribution in iron octaethyloxophlorin complexes. Importance of the Fe(III) oxophlorin trianion form in the bis-pyridine and bis-imidazole complexes.
• Authors of publication: Rath, Sankar Prasad; Olmstead, Marilyn M.; Balch, Alan L.
• Journal of publication: Inorganic chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 15
• Pages of publication: 6083 - 6093
• a: 19.682 ± 0.003 Å
• b: 18.979 ± 0.003 Å
• c: 25.052 ± 0.004 Å
• α: 90°
• β: 98.886 ± 0.004°
• γ: 90°
• Cell volume: 9246 ± 3 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1053
• Residual factor for significantly intense reflections: 0.0824
• Weighted residual factors for significantly intense reflections: 0.1625
• Weighted residual factors for all reflections included in the refinement: 0.1704
• Goodness-of-fit parameter for all reflections included in the refinement: 1.243
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No