Information card for entry 4115543

Structure parameters

• Common name: [Fe2(m-O2CArTol)2(O2CArTol)2(N,N-Me2en)2]
• Formula: C94 H92 Cl4 Fe2 N4 O8
• Calculated formula: C94 H92 Cl3.844 Fe2 N4 O8
• Title of publication: Oxidative N-Dealkylation of a Carboxylate-Bridged Diiron(II) Precursor Complex by Reaction with O2 Affords the Elusive {Fe2(μ-OH)2(μ-O2CR)}3+ Core of Soluble Methane Monooxygenase Hydroxylase
• Authors of publication: Dongwhan Lee; Stephen J. Lippard
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2001
• Journal volume: 123
• Pages of publication: 4611 - 4612
• a: 11.6032 ± 0.0003 Å
• b: 14.0661 ± 0.0002 Å
• c: 15.2839 ± 0.0004 Å
• α: 101.305 ± 0.001°
• β: 108.13 ± 0.001°
• γ: 108.161 ± 0.001°
• Cell volume: 2130.68 ± 0.09 ų
• Cell temperature: 293 ± 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: 0.0566
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.1042
• Weighted residual factors for all reflections included in the refinement: 0.112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No