Preparation and molecular structure of Hg{CCCC[Ru(dppe)Cp*]}2-non-linearity in a molecular rod

The preparations of Hg{CCCC[Ru(PR3)2Cp′]}2 [(PR3)2=dppe, Cp′=Cp*, 1; PR3=PPh3, 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.