Information card for entry 4317591

Structure parameters

• Common name: [Fe2(m-O2CAr4-FPh)2(O2CAr4-FPh)2(N,N-Bn2en)2]
• Formula: C109 H80 Cl2 F8 Fe2 N4 O8
• Calculated formula: C109 H80 Cl2 F8 Fe2 N4 O8
• Title of publication: Synthetic Analogue of the {Fe2(μ-OH)2(μ-O2CR)}3+ Core of Soluble Methane Monooxygenase Hydroxylase via Synthesis and Dioxygen Reactivity of Carboxylate-Bridged Diiron(II) Complexes
• Authors of publication: Dongwhan Lee; Stephen J. Lippard
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 827 - 837
• a: 13.757 Å
• b: 21.0669 ± 0.0005 Å
• c: 17.7305 ± 0.0004 Å
• α: 90°
• β: 99.235 ± 0.001°
• γ: 90°
• Cell volume: 5072 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1339
• Residual factor for significantly intense reflections: 0.0723
• Weighted residual factors for significantly intense reflections: 0.2116
• Weighted residual factors for all reflections included in the refinement: 0.2362
• Goodness-of-fit parameter for all reflections included in the refinement: 0.954
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No