Information card for entry 4116897

Structure parameters

• Common name: [Fe2(m-O2CAr)2(O2CAr)2(1-MeIm)2]
• Formula: C94 H80 Cl4 Fe2 N4 O8
• Calculated formula: C93.87 H80 Cl2.63 Fe2 N4 O8
• 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: 11.1846 ± 0.0002 Å
• b: 17.3132 ± 0.0002 Å
• c: 22.5524 ± 0.0003 Å
• α: 84.479 ± 0.001°
• β: 84.129 ± 0.001°
• γ: 73.605 ± 0.001°
• Cell volume: 4157.14 ± 0.11 ų
• Cell temperature: 188 ± 2 K
• Ambient diffraction temperature: 188 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1188
• Residual factor for significantly intense reflections: 0.0671
• Weighted residual factors for significantly intense reflections: 0.1673
• Weighted residual factors for all reflections included in the refinement: 0.1968
• 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