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(η-五甲基-环戊二烯基)(η-4-苯基-丁-2-酮)钌(II)四苯基硼酸盐

(η-Penta-methyl-cyclo-penta-dien-yl)(η-4-phenyl-butan-2-one)ruthenium(II) tetra-phenyl-borate.

作者信息

Loughrey Bradley T, Williams Michael L, Healy Peter C

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2010 Nov 13;66(Pt 12):m1564. doi: 10.1107/S1600536810046064.

DOI:10.1107/S1600536810046064
PMID:21589253
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3011665/
Abstract

The title compound, [Ru(C(10)H(15))(C(10)H(12)O)][B(C(6)H(5))(4)], crystallizes as discrete (η(5)-penta-methyl-cyclo-penta-dien-yl)Ru(η(6)-4-phenyl-butan-2-one)](+) cations and BPh(4) anions. In the cation, the non-H atoms of the butan-2-one group are approximately planar (r.m.s. deviation = 0.056 Å) and lie nearly perpendicular to the plane of the phenyl ring with a dihedral angle between the two planes of 69.3 (1)°. No significant C-H⋯O inter-actions are observed between the methyl and phenyl H atoms and the carbonyl O atom.

摘要

标题化合物[Ru(C₁₀H₁₅)(C₁₀H₁₂O)][B(C₆H₅)₄]以离散的(η⁵-五甲基环戊二烯基)Ru(η⁶-4-苯基丁-2-酮)]⁺阳离子和[BPh₄]⁻阴离子形式结晶。在阳离子中,丁-2-酮基团的非H原子近似平面(均方根偏差 = 0.056 Å),且几乎垂直于苯环平面,两个平面之间的二面角为69.3 (1)°。在甲基和苯基H原子与羰基O原子之间未观察到明显的C-H⋯O相互作用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/abd8/3011665/93979370f122/e-66-m1564-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/abd8/3011665/93979370f122/e-66-m1564-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/abd8/3011665/93979370f122/e-66-m1564-fig1.jpg

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本文引用的文献

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2
Structure validation in chemical crystallography.化学晶体学中的结构验证
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Selective cytotoxic Ru(II) arene Cp* complex salts [R-PhRuCp*](+)X(-) for X = BF4(-), PF6(-), and BPh4(-).
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Inorg Chem. 2008 Oct 6;47(19):8589-91. doi: 10.1021/ic801159f. Epub 2008 Sep 11.
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Acta Crystallogr A. 2008 Jan;64(Pt 1):112-22. doi: 10.1107/S0108767307043930. Epub 2007 Dec 21.