Information card for entry 4112135

Structure parameters

• Common name: Fe(OEP-NH2)(Cl). 0.5CHCl3 0.5Methylcyclopentane
• Formula: C39.5 H51.5 Cl2.5 Fe N5
• Calculated formula: C39.5 H51.5 Cl2.5 Fe N5
• Title of publication: Facile Ring Opening of Iron(III) and Iron(II) Complexes of meso-Amino-octaethylporphyrin by Dioxygen
• Authors of publication: Sankar Prasad Rath; Heather Kalish; Lechosław Latos-Grażyński; 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: 646 - 654
• a: 10.638 ± 0.002 Å
• b: 12.246 ± 0.002 Å
• c: 14.855 ± 0.003 Å
• α: 90.151 ± 0.004°
• β: 96.881 ± 0.004°
• γ: 97.954 ± 0.004°
• Cell volume: 1902.4 ± 0.6 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: 0.1036
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1348
• Weighted residual factors for all reflections included in the refinement: 0.1551
• Goodness-of-fit parameter for all reflections included in the refinement: 0.971
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No