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]

Burlakov V.V.; Spannenberg A.; Arndt P.; Rosenthal U.

首页> 外文期刊>Acta Crystallographica Section E: Crystallographic Communications >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]

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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]

机译：双（η5-环戊二烯基）（1,4-二叔丁基丁a-1-en-3-yn-1-基）锆（IV）μ2-羟基-双[三（五氟苯基）硼酸酯]的晶体结构

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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).

机译：烷基锆茂阳离子作为许多聚合方法中的反应性物种已引起广泛关注。在标题化合物[Zr（C12H19）（C5H5）2]（C36HB2F30O）的晶体结构中，[Zr（C5H5）2（（t-Bu）C = C（H）-C2（t-Bu）） ] +阳离子侧向排列一个Buta-1-en-3-yne配体，与典型的弯曲锆茂[配质（cp）-Zr-质心（cp）= 131.4（3）°，Zr-C（buta-1） -en-3-yne）= 2.255（3），2.597（3）和2.452（2）]。在[HO（B（C6F5）3）2]-阴离子中，观察到分子内OH-F氢键。络合阳离子中的一个叔丁基基团在两组位置上无序排列，占用率为0.701（4）：0.299（4）。

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《Acta Crystallographica Section E: Crystallographic Communications》 |2015年第3期|共页
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Burlakov V.V.; Spannenberg A.; Arndt P.; Rosenthal U.;
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中图分类晶体学;
关键词
CRYSTAL STRUCTUREZIRCONOCENEBUTA-1-EN-3-YNEBORATE ANIONINTRAMOLECULAR O-H...F HYDROGEN BONDS;

机译：晶体结构锆烯1-EN-3-羟基硼酸酯阴离子分子间O-H ... F氢键;

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1. 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] [J] . Burlakov V.V., Spannenberg A., Arndt P., Acta Crystallographica Section E: Crystallographic Communications . 2015,第3期

机译：双（η5-环戊二烯基）（1,4-二叔丁基丁a-1-en-3-yn-1-基）锆（IV）μ2-羟基-双[三（五氟苯基）硼酸酯]的晶体结构
2. 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] [J] . Burlakov V.V., Spannenberg A., Arndt P., Acta Crystallographica Section E: Crystallographic Communications . 2015,第3期

机译：双（η5-环戊二烯基）（1,4-二叔丁基丁a-1-en-3-yn-1-基）锆（IV）μ2-羟基-双[三（五氟苯基）硼酸酯]的晶体结构
3. 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] [J] . Burlakov V.V., Spannenberg A., Arndt P., Acta Crystallographica Section E: Crystallographic Communications . 2015,第3期

机译：双（η5-环戊二烯基）（1,4-二叔丁基丁a-1-en-3-yn-1-基）锆（IV）μ2-羟基-双[三（五氟苯基）硼酸酯]的晶体结构
4. Crystal structure of bis(η5-cyclopentadienyl)(14-di-tert-butylbuta-1-en-3-yn-1-yl)zirconium(IV) μ2-hydroxido-bistris(pentafluorophenyl)borate [O] . Vladimir V. Burlakov, Anke Spannenberg, Perdita Arndt, 2015

机译：双（η5-环戊二基）（14-二叔丁基丁-1--1-en-3-yn-1-基）锆（IV）μ2-羟基双三（五氟苯基）硼酸酯的晶体结构
5. 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] [O] . Vladimir V. Burlakov, Anke Spannenberg, Perdita Arndt, 2015

机译：双（η5-环戊二烯基）（1,4-二叔丁基丁-1-烯-3-炔-1-基）锆（IV）μ2-羟基 - 双[三（五氟苯基）硼酸盐]的晶体结构

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]

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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]