Structure and Mössbauer Spectrum of a (μ-1,2-Peroxo)bis(μ-carboxylato)diiron(III) Model for the Peroxo Intermediate in the Methane Monooxygenase Hydroxylase Reaction Cycle

Journal of the American Chemical Society - Tập 118 Số 20 - Trang 4914-4915 - 1996
Kimoon Kim1, Stephen J. Lippard1
1Department of Chemistry, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139

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Fe, V = 4,223(3) Å3 at −150 °C with Z = 4

The compound 2[Fe2(μ-1,2-O2)(μ-O2CCH2Ph)2{HB(pz‘)3}2]·0.5CH2Cl2·0.5(i-Pr2O)·2.5C5H12crystallized in space groupP21/n,a= 17.222(4) Å,b= 24.206(4) Å,c= 45.449(10) Å, β = 96.198(11)°,V= 18 836(7) Å3at −150 °C withZ= 4. Data were collected on a Siemens SMART diffractometer equipped with a CCD detector and Mo Kα radiation. With the use of 23 205 reflections, the structure was refined to a conventionalRvalue (I> 2σ(I)) of 0.142. This high residual reflects poor crystal quality (>100 crystals were examined and 4 complete data sets were collected), a large unit cell (1801 parameters), high solvent content, and solvent disorder. Details are available as supporting information.

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