Information card for entry 4113660

Structure parameters

• Common name: Fe(OEP-NH2)degradation product
• Formula: C38 H49 Fe N5 O3
• Calculated formula: C38 H49 Fe N5 O3
• Title of publication: Heme Cleavage with Remarkable Ease: Paramagnetic Intermediates Formed by Aerobic Oxidation of a Meso-Amino-Substituted Iron Porphyrin
• Authors of publication: Heather Kalish; Hon Man Lee; Marilyn M. Olmstead; Lechosław Latos-Grażyński; Sankar Prasad Rath; Alan L. Balch
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 4674 - 4675
• a: 13.2609 ± 0.0011 Å
• b: 13.7486 ± 0.001 Å
• c: 22.1473 ± 0.0018 Å
• α: 105.949 ± 0.002°
• β: 94.927 ± 0.003°
• γ: 108.663 ± 0.004°
• Cell volume: 3610.7 ± 0.5 ų
• Cell temperature: 91 ± 2 K
• Ambient diffraction temperature: 91 ± 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: 0.1134
• Residual factor for significantly intense reflections: 0.0627
• Weighted residual factors for significantly intense reflections: 0.1519
• Weighted residual factors for all reflections included in the refinement: 0.1838
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No