Information card for entry 4350348

Structure parameters

• Common name: (py)2Fe(OEPO)
• Formula: C46 H53 Fe N6 O
• Calculated formula: C46 H53 Fe N6 O
• 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: 9.8604 ± 0.0012 Å
• b: 10.2419 ± 0.0013 Å
• c: 10.5271 ± 0.0013 Å
• α: 80.329 ± 0.002°
• β: 90.06 ± 0.003°
• γ: 66.255 ± 0.002°
• Cell volume: 956.5 ± 0.2 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 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: 0.0739
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.1057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No