Synthesis and Structural Characterization of [(h^5-C_5Me_5)_2Mo_2Fe_2S_4Br_2]

作     者：YU Hong JI Shun-Jun Lang Jian-Ping② (Department of Chemistry and Chemical Engineering, Suzhou University, Suzhou 215006, China) 

作者机构：Department of Chemistry and Chemical Engineering Suzhou University Suzhou 215006 

出 版 物：《Chinese Journal of Structural Chemistry》 (结构化学（英文）)

年 卷 期：2002年第21卷第1期

页      面：34-37页

核心收录：

学科分类：081704[工学-应用化学] 07[理学] 070304[理学-物理化学(含∶化学物理)] 08[工学] 0817[工学-化学工程与技术] 0703[理学-化学] 

基　　金：This work was supported by the Key Laboratory of Organic Chemistry of Jiangsu Province at Suzhou University 

主　　题：synthesis crystal structure molybdenum cluster iron cluster 

摘      要：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 ?