(η(6)-Benzene)(carbonato-κ(2) O,O')[di-cyclohex-yl(naphthalen-1-ylmeth-yl)phosphane-κP]ruthenium(II) chloro-form tris-olvate.

Saravanan Gowrisankar,Helfried Neumann,Anke Spannenberg,Matthias Beller

doi:10.1107/s1600536814014081

Abstract

The title compound, [Ru(CO3)(η6-C6H6){(C6H11)2P(CH2C10H7)}]·3CHCl3, was synthesized by carbonation of [RuCl2(η6-C6H6){(C6H11)2P(CH2C10H7)}] with NaHCO3 in methanol at room temperature. The RuII atom is surrounded by a benzene ligand, a chelating carbonate group and a phosphane ligand in a piano-stool configuration. The crystal packing is consolidated by C—H⋯O and C—H⋯Cl hydrogen-bonding interactions between adjacent metal complexes and between the complexes and the solvent molecules. The asymmetric unit contains one metal complex and three chloroform solvent molecules of which only one was modelled. The estimated diffraction contributions of the other two strongly disordered chloroform solvent molecules were substracted from the observed diffraction data using the SQUEEZE procedure in PLATON [Spek (2009 ▶). Acta Cryst. D65, 148–155].

Highlights

Division of Organic Chemistry, Institute of Chemical and Engineering Sciences, Katalyse e
The RuII atom is surrounded by a benzene ligand, a chelating carbonate group and a phosphane ligand in a piano-stool configuration
The crystal packing is consolidated by C—H O and C—H Cl hydrogen-bonding interactions between adjacent metal complexes and between the complexes and the solvent molecules

Summary

Experimental a Crystal data

Key indicators: single-crystal X-ray study; T = 150 K; mean (C–C) = 0.007 Å; some non-H atoms missing; R factor = 0.041; wR factor = 0.110; data-to-parameter ratio =. The title compound, [Ru(CO3)(6-C6H6){(C6H11)2P(CH2C10H7)}]3CHCl3, was synthesized by carbonation of [RuCl2(6-C6H6){(C6H11)2P(CH2C10H7)}] with NaHCO3 in methanol at room temperature. The RuII atom is surrounded by a benzene ligand, a chelating carbonate group and a phosphane ligand in a piano-stool configuration. The crystal packing is consolidated by C—H O and C—H Cl hydrogen-bonding interactions between adjacent metal complexes and between the complexes and the solvent molecules. The asymmetric unit contains one metal complex and three chloroform solvent molecules of which only one was modelled. The estimated diffraction contributions of the other two strongly disordered chloroform solvent molecules were substracted from the observed diffraction data using the SQUEEZE procedure in PLATON [Spek (2009).

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Bruker Kappa APEXII DUO diffractometer

Findings

Special details