Crystal structure of bis­(η5-cyclo­penta­dien­yl)(1,4-di-tert-butyl­buta-1-en-3-yn-1-yl)zirconium(IV) μ2-hydroxido-bis­[tris(penta­fluoro­phen­yl)borate]

Acta Crystallographica Section E: Crystallographic Communications

Burlakov, V.V.¹  Spannenberg, A.²  Arndt, P.³  Rosenthal, U.⁴ 

[1] A. N. Nesmeyanov Institute of Organoelement Compounds, Russian Academy of Sciences, Vavilov St. 28, 119991 Moscow, Russian Federation;Leibniz-Institut für Katalyse e. V. an der Universität Rostock, Albert-Einstein-Strasse 29a, 18059 Rostock, Germany

关键词: CRYSTAL STRUCTURE;    ZIRCONOCENE;    BUTA-1-EN-3-YNE;    BORATE ANION;    INTRAMOLECULAR O-H...F HYDROGEN BONDS;   

DOI  :  10.1107/S2056989015003710

学科分类：数学（综合）

来源: International Union of Crystallography

【 摘 要 】

Alkyl zirconocene cations have been of considerable inter­est as reactive species in many polymerization processes. In the crystal structure of the title compound, [Zr(C12H19)(C5H5)2](C36HB2F30O), the [Zr(C5H5)2((t-Bu)C=C(H)—C2(t-Bu))]+ cation displays a buta-1-en-3-yne ligand side-on coordinated to a typical bent zirconocene [centroid(cp)—Zr—centroid(cp) = 131.4 (3)°, Zr—C(buta-1-en-3-yne) = 2.255 (3), 2.597 (3) and 2.452 (2) Å]. In the [HO(B(C6F5)3)2]− anion, intra­molecular O—H⋯F hydrogen bonds are observed. One tert-butyl group in the complex cation is disordered over two sets of sites with occupancies 0.701(4):0.299(4).

【 授权许可】

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