Information card for entry 4112573

Structure parameters

• Common name: Fe(OEPO)(1-Me Imidazole)2
• Formula: C44 H53 Fe N8 O
• Calculated formula: C44 H53 Fe N8 O
• Title of publication: The Effects of Axial Ligands on Electron Distribution and Spin States in Iron Complexes of Octaethyloxophlorin, Intermediates in Heme Degradation
• Authors of publication: Sankar Prasad Rath; Marilyn M. Olmstead; Alan L. Balch
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 6379 - 6386
• a: 9.5027 ± 0.0006 Å
• b: 10.4786 ± 0.0007 Å
• c: 10.5971 ± 0.0008 Å
• α: 98.151 ± 0.006°
• β: 90.643 ± 0.006°
• γ: 115.179 ± 0.005°
• Cell volume: 942.28 ± 0.12 ų
• Cell temperature: 129 ± 2 K
• Ambient diffraction temperature: 129 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.057
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.1306
• Weighted residual factors for all reflections included in the refinement: 0.135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No