Erben Milan, Dušek Michal, Picka Michal, Vinklárek Jaromír
Department of General and Inorganic Chemistry, Faculty of Chemical Technology, University of Pardubice, Nám. Čs. legií 565, Pardubice 532 10, Czech Republic.
Acta Crystallogr Sect E Struct Rep Online. 2008 Dec 17;65(Pt 1):m92. doi: 10.1107/S1600536808040713.
The title mol-ecule, [ZrBr(2)(C(12)H(14)Si)], possesses a crystallographically imposed twofold rotational symmetry with the rotation axis passing through the Zr and Si atoms. The Zr(IV) centre is in a distorted tetra-hedral environment defined by two Cp rings of chelating organic ligands and two Br anions. Two five-membered rings form a dihedral angle of 59.7 (2)°. Unequal Zr-C bonds [2.471 (3)-2.556 (3) Å] in the mol-ecule indicate that the inter-action of the central metal with the (C(5)H(4))(2)SiMe(2) ligand contains noticeable η(3)-allyl and η(2)-olefin contributions.
标题分子[ZrBr₂(C₁₂H₁₄Si)]具有晶体学上的二重旋转对称性，旋转轴穿过Zr和Si原子。Zr(IV)中心处于由螯合有机配体的两个Cp环和两个Br阴离子所定义的扭曲四面体环境中。两个五元环形成的二面角为59.7 (2)°。分子中不等长的Zr-C键[2.471 (3) - 2.556 (3) Å]表明中心金属与[(C₅H₄)₂SiMe₂]²⁻配体的相互作用包含显著的η³-烯丙基和η²-烯烃贡献。
