Crystal structure of [1,3-bis(2,4,6-trimethylphen-yl)imidazolidin-2-ylidene]dichlorido{2-[1-(di-metnylamino)ethyl]benzylidene}ruthenium including an unknown solvate

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Polyanskii K. B., Alekseeva K. A., Kumandin P. A., Atioglu Z., AKKURT M., Toze F. A. A.

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, vol.75, pp.342-353, 2019 (ESCI) identifier identifier identifier


The title compound, [RuCl2(C21H26N2)(C11H15N)], is an example of a new generation of N,N-dialkyl metallocomplex ruthenium catalysts with an N -> Ru coordination bond as part of a six-membered chelate ring. The Ru atom has an Addison tau parameter of 0.234, which indicates a geometry intermediate between square-based pyramidal and trigonal-bipyramidal. The complex shows the usual trans arrangement of the two chloride ligands, with Ru-Cl bond lengths of 2.3397 (8) and 2.3476 (8) angstrom, and a Cl-Ru- Cl angle of 157.47 (3)degrees. The crystal structure features C -H center dot center dot center dot Cl, C -H center dot center dot center dot pi and pi-pi stacking interactions. The solvent molecules were found to be highly disordered and their contribution to the scattering was removed with the SQUEEZE procedure in PLATON [Spek (2015). Acta Cryst. C71, 9-18], which indicated a solvent cavity of volume 1096 angstrom(3) containing approximately 419 electrons. These solvent molecules are not considered in the given chemical formula and other crystal data.