Information card for entry 4114205

Structure parameters

• Common name: [Fe(OEPO)(NO)(pyridine)]~2~^.^pyridine
• Formula: C87 H101 Fe2 N13 O4
• Calculated formula: C87 H101 Fe2 N13 O4
• Title of publication: Reversible Binding of Nitric Oxide and Carbon-Carbon Bond Formation in a Meso-hydroxylated Heme
• Authors of publication: Sankar Prasad Rath; Richard Koerner; Marilyn M. Olmstead; Alan L. Balch
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 11798 - 11799
• a: 10.582 ± 0.002 Å
• b: 13.246 ± 0.003 Å
• c: 14.854 ± 0.003 Å
• α: 102.93 ± 0.004°
• β: 96.721 ± 0.007°
• γ: 102.373 ± 0.011°
• Cell volume: 1952.2 ± 0.7 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: 0.1157
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1148
• Weighted residual factors for all reflections included in the refinement: 0.135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No