Arndt Perdita, Schubert Kathleen, Burlakov Vladimir V, Spannenberg Anke, Rosenthal Uwe
Leibniz-Institut für Katalyse e. V. an der Universität Rostock, Albert-Einstein-Str. 29a, 18059 Rostock, Germany.
A. N. Nesmeyanov Institute of Organoelement Compounds, Russian Academy of Sciences, Vavilov St 28, 119991, Moscow, Russian Federation.
Acta Crystallogr E Crystallogr Commun. 2015 Jan 10;71(Pt 2):m19-20. doi: 10.1107/S2056989015000092. eCollection 2015 Feb 1.
The crystal structure of the title compound, [Hf(C10H15)2(C4H9)2], reveals two independent mol-ecules in the asymmetric unit. The diffraction experiment was performed with a racemically twinned crystal showing a 0.529 (5):0.471 (5) component ratio. Each Hf(IV) atom is coordinated by two penta-methyl-cyclo-penta-dienyl and two n-butyl ligands in a distorted tetra-hedral geometry, with the cyclo-penta-dienyl rings inclined to one another by 45.11 (15) and 45.37 (16)°. In contrast to the isostructural di(n-butyl)bis(η (5)-penta-methyl-cyclo-penta-dien-yl)zirconium(IV) complex with a noticeable difference in the Zr-butyl bonding, the Hf-Cbut-yl bond lengths differ from each other by no more than 0.039 (3) Å.
标题化合物[Hf(C₁₀H₁₅)₂(C₄H₉)₂]的晶体结构表明，不对称单元中有两个独立的分子。衍射实验使用了一个具有0.529 (5):0.471 (5) 组分比的外消旋孪晶晶体进行。每个Hf(IV)原子由两个五甲基环戊二烯基和两个正丁基配体以扭曲的四面体几何构型配位，环戊二烯基环彼此倾斜45.11 (15)°和45.37 (16)°。与具有明显不同的Zr-丁基键合的同构二(正丁基)双(η⁵-五甲基环戊二烯基)锆(IV)配合物相比，Hf-Cbut-yl键长彼此相差不超过0.039 (3) Å。
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