MOLECULAR AND CRYSTAL STRUCTURE OF (μ-HOCH_2 CH_2 S)_2 Fe_2 (CO)_4(PPh_3)_2

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The molecular and crystal structure of the complex (μ-HOCH2CH2-S)2 Fe2(CO)4(PPh3)2 synthesized by reaction of ethylene epoxide with (μ-Lis)2Fe2(CO)6, followed by EtOH alcoholysis and PPh3 substitution,was determined by X-ray diffraction technique. The crystals are triclinic,space group P 1,with a= 10. 902(2),b=12. 106 (2),c=16. 123(4) A ,V= 2079. 36A3,α=78. 13(1),β=89. 37(2),γ=87. 93(1)°, Z = 2,Dx=1. 44 g/cm3.μ(MoKa) = 9. 149cm-1, F(000) = 940. The final R and Rw equal to 0. 055 and 0. 068,respectively,for 3598 observed independent reflections. In this molecule two PPh3 ligands are trans to the Fe - Fe bond and axially coordinated to two iron atoms. In addition,two hydroxylethyl groups are attached to bridging sulfur atoms by e-type of bond and thus this molecule is an ee conformer. The molecular and crystal structure of the complex (μ-HOCH2CH2-S) 2Fe2 (CO) 4 (PPh3) 2 synthesized by reaction of ethylene epoxide with (μ-Lis) 2Fe2 (CO) 6, followed by EtOH alcoholysis and PPh3 substitution , was determined by X-ray diffraction technique. The crystals are triclinic, space group P1 with a = 10. 902 (2), b = 12.106 (2), c = = 2079. 36A3, α = 78.13 (1), β = 89.37 (2), γ = 87.93 (1) °, Z = 2, Dx = 1.44 g / cm3.μ (MoKa) = 9. 149cm-1, F (000) = 940. The final R and Rw equal to 0. 055 and 0. 068, respectively, for 3598 observed independent reflections. In this molecule two PPh3 ligands are trans to the Fe - Fe bond and axially coordinated to two iron atoms. In addition, two hydroxylethyl groups are attached to bridging sulfur atoms by e-type of bond and thus this molecule is an ee conformer.
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