Crystal structure of bis­(η(5)-cyclo­penta­dien­yl)(1,4-di-tert-butyl­buta-1-en-3-yn-1-yl)zirconium(IV) μ(2)-hydroxido-bis­[tris(penta­fluoro­phen­yl)borate]

Alkyl zirconocene cations have been of considerable inter­est as reactive species in many polymerization processes. In the crystal structure of the title compound, [Zr(C(12)H(19))(C(5)H(5))(2)](C(36)HB(2)F(30)O), the [Zr(C(5)H(5))(2)((t-Bu)C=C(H)—C(2)(t-Bu))](+) cation displays a buta-1-en-3-yne lig...

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Detalles Bibliográficos
Autores principales: Burlakov, Vladimir V., Spannenberg, Anke, Arndt, Perdita, Rosenthal, Uwe
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Data Reports
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4350704/
https://www.ncbi.nlm.nih.gov/pubmed/25844214
http://dx.doi.org/10.1107/S2056989015003710
Descripción
Sumario:Alkyl zirconocene cations have been of considerable inter­est as reactive species in many polymerization processes. In the crystal structure of the title compound, [Zr(C(12)H(19))(C(5)H(5))(2)](C(36)HB(2)F(30)O), the [Zr(C(5)H(5))(2)((t-Bu)C=C(H)—C(2)(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(C(6)F(5))(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).

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