Unexpected intramolecular interactions in Ru3(CO)12: An experimental charge density study at 120 K

The experimental charge density determination (T = 120 K) of a second-row transition metal cluster and subsequent topological analysis elucidate the bonding of the Ru3(CO)12 molecule. The Ru–Ru bond critical point features were found to be close to those of the first-row transition metal–metal bonds. Furthermore, the experiment reveals the presence of C⋯C interactions among the axial carbonyl ligands. They may justify the sterically hindered D3h configuration of the molecule and the distortion of axial COs from linearity.