Information card for entry 4327429

Structure parameters

• Common name: [Fe(OEPOH)(py)2].2py.0.33H2O
• Formula: C56 H62.67 Fe N8 O1.33
• Calculated formula: C56 H62 Fe N8 O1.33
• Title of publication: Reactions of meso-Hydroxyhemes with Carbon Monoxide and Reducing Agents in Search of the Elusive Species Responsible for the g= 2.006 Resonance of Carbon Monoxide-Treated Heme Oxygenase. Isolation of Diamagnetic Iron(II) Complexes of Octaethyl-meso-hydroxyporphyrin
• Authors of publication: Sankar Prasad Rath; Marilyn M. Olmstead; Alan L. Balch
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 6357 - 6365
• a: 13.2142 ± 0.0016 Å
• b: 15.1619 ± 0.0018 Å
• c: 15.3635 ± 0.0019 Å
• α: 106.478 ± 0.002°
• β: 99.01 ± 0.002°
• γ: 110.242 ± 0.002°
• Cell volume: 2656.1 ± 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: 0.1499
• Residual factor for significantly intense reflections: 0.0774
• Weighted residual factors for significantly intense reflections: 0.2057
• Weighted residual factors for all reflections included in the refinement: 0.2347
• Goodness-of-fit parameter for all reflections included in the refinement: 0.95
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No