Halogen bonding (HaB) in E-I •••X-M systems: influence of the halogen donor in the HaB nature

New halogen bonded networks containing the organometallic complexes [Ru(CNtBu)4(X)2] (X = Cl, Br, I) have been prepared. Two different types of halogen donor have been explored, I2 and IC6F4I, to study the influence of the halogen bond donor in the parameters and the nature of the interaction. We have performed a combined experimental and theoretical study. In the results, the species with IC6F4I as halogen bond donor show weaker interactions, as evidenced by the geometrical parameters and by the DFT calculations. In fact, it was not possible to isolate the HaB network containing the complex [Ru(CNtBu)4(I)2] and IC6F4I. Furthermore, the studies show that the interaction for the iodine has a higher covalent component than for the IC6F4I