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...

Descripción completa

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
_version_ 1782360222326587392
author Burlakov, Vladimir V.
Spannenberg, Anke
Arndt, Perdita
Rosenthal, Uwe
author_facet Burlakov, Vladimir V.
Spannenberg, Anke
Arndt, Perdita
Rosenthal, Uwe
author_sort Burlakov, Vladimir V.
collection PubMed
description 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).
format Online
Article
Text
id pubmed-4350704
institution National Center for Biotechnology Information
language English
publishDate 2015
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-43507042015-04-03 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] Burlakov, Vladimir V. Spannenberg, Anke Arndt, Perdita Rosenthal, Uwe Acta Crystallogr E Crystallogr Commun Data Reports 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). International Union of Crystallography 2015-02-28 /pmc/articles/PMC4350704/ /pubmed/25844214 http://dx.doi.org/10.1107/S2056989015003710 Text en © Burlakov et al. 2015 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Data Reports
Burlakov, Vladimir V.
Spannenberg, Anke
Arndt, Perdita
Rosenthal, Uwe
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]
title 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]
title_full 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]
title_fullStr 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]
title_full_unstemmed 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]
title_short 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]
title_sort 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]
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4350704/
https://www.ncbi.nlm.nih.gov/pubmed/25844214
http://dx.doi.org/10.1107/S2056989015003710
work_keys_str_mv AT burlakovvladimirv crystalstructureofbisē5cyclopentadienyl14ditertbutylbuta1en3yn1ylzirconiumivm2hydroxidobistrispentafluorophenylborate
AT spannenberganke crystalstructureofbisē5cyclopentadienyl14ditertbutylbuta1en3yn1ylzirconiumivm2hydroxidobistrispentafluorophenylborate
AT arndtperdita crystalstructureofbisē5cyclopentadienyl14ditertbutylbuta1en3yn1ylzirconiumivm2hydroxidobistrispentafluorophenylborate
AT rosenthaluwe crystalstructureofbisē5cyclopentadienyl14ditertbutylbuta1en3yn1ylzirconiumivm2hydroxidobistrispentafluorophenylborate

Ejemplares similares