Crystal structure of bis(η5-cyclopenta-dienyl)(1,4-di-tert-butylbuta-1-en-3-yn-1-yl) zirconium(IV) μ2-hydroxido-bis[tris-(pentafluorophenyl) borate]
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Date
2015
Volume
E71
Issue
3
Journal
Series Titel
Book Title
Publisher
Chester : International Union of Crystallography
Link to publishers version
Abstract
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, 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).
Description
Keywords
Borate anion, Buta-1-en-3-yne, Crystal structure, Intramolecular O - H⋯F hydrogen bonds, Zirconocene
Citation
Burlakov, V. V., Spannenberg, A., Arndt, P., & Rosenthal, U. (2015). Crystal structure of bis(η5-cyclopenta-dienyl)(1,4-di-tert-butylbuta-1-en-3-yn-1-yl) zirconium(IV) μ2-hydroxido-bis[tris-(pentafluorophenyl) borate]. E71(3). https://doi.org//10.1107/S2056989015003710
License
CC BY 2.0 UK