Esterhuysen Catharine, Retief Lizette, Kruger Gert J, Cronje Stephanie, Raubenheimer Helgard G
Acta Crystallogr Sect E Struct Rep Online. 2009 Jan 8;65(Pt 2):m125. doi: 10.1107/S1600536808042621.
The title compound, [CrZr(C(5)H(5))(2)(C(2)H(3)O)Cl(CO)(5)], consists of two metal centres, with a (penta-carbonyl-chromium)oxymethyl-carbene group coordinating as a monodentate ligand to the zirconocene chloride. π-Delocalization through the Zr-O-C=Cr unit is indicated by a short Zr-O distance [2.041 (3) Å] and a nearly linear Zr-O-C angle [170.5 (3)°]. Mol-ecules are aligned with their mol-ecular planes (through Zr, Cl, carbene and Cr) parallel to the ab plane. C-H⋯Cl inter-actions result in zigzag chains of mol-ecules propagating parallel to the b axis.
标题化合物[CrZr(C₅H₅)₂(C₂H₃O)Cl(CO)₅]由两个金属中心组成,其中一个(五羰基铬)氧甲基卡宾基团作为单齿配体与二氯二茂锆配位。通过Zr - O - C = Cr单元的π离域作用表现为较短的Zr - O距离[2.041(3) Å]和接近线性的Zr - O - C角[170.5(3)°]。分子的分子平面(通过Zr、Cl、卡宾和Cr)与ab平面平行排列。C - H⋯Cl相互作用导致分子形成之字形链,沿b轴平行方向延伸。