Abstract

The preparations of Hg{CCCC[Ru(PR 3) 2Cp′]} 2 [(PR 3) 2=dppe, Cp′=Cp*, 1; PR 3=PPh 3, Cp′=Cp, 2] are reported and the molecular structure of 1 is described. Following the observation of an unusually large bending at the carbon atoms attached to mercury [C(3)C(4)Hg 166.5(3)°]. DFT calculations were employed to probe its electronic structure. The system exhibits a closed-shell electronic configuration and the bending must be ascribed to low-energy lattice forces.

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