Information card for entry 4115545

Structure parameters

• Common name: [Fe2(m-OH)2(m-O2CArTol)(O2CArTol)3(N-Bnen)(N,N-Bn2en)]
• Formula: C123.5 H109 Cl2 Fe2 N4 O10
• Calculated formula: C123.5 H109 Cl2 Fe2 N4 O10
• 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: 15.0043 ± 0.0018 Å
• b: 16.907 ± 0.002 Å
• c: 24.019 ± 0.003 Å
• α: 95.57 ± 0.002°
• β: 108.017 ± 0.002°
• γ: 104.939 ± 0.002°
• Cell volume: 5493.9 ± 1.2 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: 0.0845
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.157
• Weighted residual factors for all reflections included in the refinement: 0.179
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No