A nonplanar arrangement of four ligands is intrinsic to the title compound is solution and in the crystal. There is no interaction between the Ru center and the Counterion [3,5-(CF3)2 C6H3]4B−. Density functional theory calculations of the model complex [Ru(Ph)(CO)(PH3)2]+ provided the structure shown on the right, which shows no ortho-CH …︁ Ru interaction.
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Huang et al. (1997) studied this question.
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