Information card for entry 4116895

Structure parameters

• Common name: [Fe2(m-O2CAr)2(O2CAr)2(THF)2]
• Formula: C47 H42 Cl2 Fe O5
• Calculated formula: C47 H42 Cl2 Fe O5
• Title of publication: Structural and Functional Models of the Dioxygen-Activating Centers of Non-Heme Diiron Enzymes Ribonucleotide Reductase and Soluble Methane Monooxygenase
• Authors of publication: Dongwhan Lee; Stephen J. Lippard
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1998
• Journal volume: 120
• Pages of publication: 12153 - 12154
• a: 10.7768 ± 0.0003 Å
• b: 14.2356 ± 0.0003 Å
• c: 15.1219 ± 0.0004 Å
• α: 107.549 ± 0.001°
• β: 98.414 ± 0.001°
• γ: 105.762 ± 0.001°
• Cell volume: 2061.87 ± 0.09 ų
• Cell temperature: 188 ± 2 K
• Ambient diffraction temperature: 188 ± 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: 0.0884
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.132
• Weighted residual factors for all reflections included in the refinement: 0.1542
• Goodness-of-fit parameter for all reflections included in the refinement: 0.879
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No