The reactions of [(h5-C5Me5)Mo(StBu)3] with equimolar FeBr3 in THF afforded a neutral tetranuclear cluster [(h5-C5Me5)2Mo2Fe2S4Br2] 1. The structure of 1 was determined by single-crystal X-ray diffraction analysis. 1 ...The reactions of [(h5-C5Me5)Mo(StBu)3] with equimolar FeBr3 in THF afforded a neutral tetranuclear cluster [(h5-C5Me5)2Mo2Fe2S4Br2] 1. The structure of 1 was determined by single-crystal X-ray diffraction analysis. 1 crystallizes in the monoclinic space group P21/n (No. 14) with a = 9.691(2), b = 15.204(2), c = 18.850(2) ? b = 96.44(1), V = 2759.8(7) ?, Z = 4, Mr = 862.08, Dc = 2.075 g/cm3, F(000) = 1680, m (MoKa) = 51.31 cm-1 and T = 296.2 K. With the use of 3667 observed reflections (I > 3.0s(I)), the structure was refined to R = 0.041 and Rw = 0.051. 1 is composed of a distorted Mo2Fe2S4 cubane core with two Br atoms and two h5-C5Me5 groups coordinating at the Fe and Mo sites, respectively. The lengths of MoMo and FeFe bonds are 2.826 and 2.773 ? respectively the mean length of MoFe bond is 2.751 ?展开更多
基金This work was supported by the Key Laboratory of Organic Chemistry of Jiangsu Province at Suzhou University.
文摘The reactions of [(h5-C5Me5)Mo(StBu)3] with equimolar FeBr3 in THF afforded a neutral tetranuclear cluster [(h5-C5Me5)2Mo2Fe2S4Br2] 1. The structure of 1 was determined by single-crystal X-ray diffraction analysis. 1 crystallizes in the monoclinic space group P21/n (No. 14) with a = 9.691(2), b = 15.204(2), c = 18.850(2) ? b = 96.44(1), V = 2759.8(7) ?, Z = 4, Mr = 862.08, Dc = 2.075 g/cm3, F(000) = 1680, m (MoKa) = 51.31 cm-1 and T = 296.2 K. With the use of 3667 observed reflections (I > 3.0s(I)), the structure was refined to R = 0.041 and Rw = 0.051. 1 is composed of a distorted Mo2Fe2S4 cubane core with two Br atoms and two h5-C5Me5 groups coordinating at the Fe and Mo sites, respectively. The lengths of MoMo and FeFe bonds are 2.826 and 2.773 ? respectively the mean length of MoFe bond is 2.751 ?
