(η6-Benzene)dichlorido(dicyclohexylphenylphosphane) ruthenium(II) benzene sesquisolvate

Alfred Muller; Wade L. Davis

doi:10.1107/S1600536812044674

(η⁶-Benzene)dichlorido(dicyclohexylphenylphosphane) ruthenium(II) benzene sesquisolvate

Alfred Muller, Wade L. Davis

Chemical Sciences

University of Johannesburg

Research output: Contribution to journal › Article › peer-review

4 Citations (Scopus)

Abstract

The asymmetric unit of the title compound, [RuCl2(C6H6)(C18H27P)]·1. 5C6H6, contains one molecule of the Ru^II complex and one and a half solvent molecules as one of these is located about a centre of inversion. The Ru^II atom has a classical three-legged piano-stool environment being coordinated by an η⁶-benzene ligand [Ru-centroid = 1.6964 (6) Å], two chloride ligands with an average Ru-Cl bond length of 2.4138 (3) Å and a dicyclohexylphenylphosphane ligand [Ru-P = 2.3786 (3) Å]. The effective cone angle for the phosphane was calculated to be 158°. In the crystal, weak C-H⋯Cl hydrogen bonds link the Ru^II complexes into centrosymmetric dimers. The crystal packing exhibits intra- and intermolecular C-H⋯π interactions resulting in a zigzag pattern in the [101] direction.

Original language	English
Pages (from-to)	m1446-m1447
Journal	Acta Crystallographica Section E: Structure Reports Online
Volume	68
Issue number	12
DOIs	https://doi.org/10.1107/S1600536812044674
Publication status	Published - Dec 2012

Keywords

R factor = 0.018
T = 100 K
data-to-parameter ratio = 22.7
mean ω(C-C) = 0.002 Å
single-crystal X-ray study
wR factor = 0.048

ASJC Scopus subject areas

General Chemistry
General Materials Science
Condensed Matter Physics

Access to Document

10.1107/S1600536812044674

Cite this

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title = "(η6-Benzene)dichlorido(dicyclohexylphenylphosphane) ruthenium(II) benzene sesquisolvate",

abstract = "The asymmetric unit of the title compound, [RuCl2(C6H6)(C18H27P)]·1. 5C6H6, contains one molecule of the RuII complex and one and a half solvent molecules as one of these is located about a centre of inversion. The RuII atom has a classical three-legged piano-stool environment being coordinated by an η6-benzene ligand [Ru-centroid = 1.6964 (6) {\AA}], two chloride ligands with an average Ru-Cl bond length of 2.4138 (3) {\AA} and a dicyclohexylphenylphosphane ligand [Ru-P = 2.3786 (3) {\AA}]. The effective cone angle for the phosphane was calculated to be 158°. In the crystal, weak C-H⋯Cl hydrogen bonds link the RuII complexes into centrosymmetric dimers. The crystal packing exhibits intra- and intermolecular C-H⋯π interactions resulting in a zigzag pattern in the [101] direction.",

keywords = "R factor = 0.018, T = 100 K, data-to-parameter ratio = 22.7, mean ω(C-C) = 0.002 {\AA}, single-crystal X-ray study, wR factor = 0.048",

author = "Alfred Muller and Davis, {Wade L.}",

year = "2012",

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journal = "Acta Crystallographica Section E: Structure Reports Online",

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T1 - (η6-Benzene)dichlorido(dicyclohexylphenylphosphane) ruthenium(II) benzene sesquisolvate

AU - Muller, Alfred

AU - Davis, Wade L.

PY - 2012/12

Y1 - 2012/12

N2 - The asymmetric unit of the title compound, [RuCl2(C6H6)(C18H27P)]·1. 5C6H6, contains one molecule of the RuII complex and one and a half solvent molecules as one of these is located about a centre of inversion. The RuII atom has a classical three-legged piano-stool environment being coordinated by an η6-benzene ligand [Ru-centroid = 1.6964 (6) Å], two chloride ligands with an average Ru-Cl bond length of 2.4138 (3) Å and a dicyclohexylphenylphosphane ligand [Ru-P = 2.3786 (3) Å]. The effective cone angle for the phosphane was calculated to be 158°. In the crystal, weak C-H⋯Cl hydrogen bonds link the RuII complexes into centrosymmetric dimers. The crystal packing exhibits intra- and intermolecular C-H⋯π interactions resulting in a zigzag pattern in the [101] direction.

AB - The asymmetric unit of the title compound, [RuCl2(C6H6)(C18H27P)]·1. 5C6H6, contains one molecule of the RuII complex and one and a half solvent molecules as one of these is located about a centre of inversion. The RuII atom has a classical three-legged piano-stool environment being coordinated by an η6-benzene ligand [Ru-centroid = 1.6964 (6) Å], two chloride ligands with an average Ru-Cl bond length of 2.4138 (3) Å and a dicyclohexylphenylphosphane ligand [Ru-P = 2.3786 (3) Å]. The effective cone angle for the phosphane was calculated to be 158°. In the crystal, weak C-H⋯Cl hydrogen bonds link the RuII complexes into centrosymmetric dimers. The crystal packing exhibits intra- and intermolecular C-H⋯π interactions resulting in a zigzag pattern in the [101] direction.

KW - R factor = 0.018

KW - T = 100 K

KW - data-to-parameter ratio = 22.7

KW - mean ω(C-C) = 0.002 Å

KW - single-crystal X-ray study

KW - wR factor = 0.048

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M3 - Article

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