Reactivity of phosphonodithioato-dppt NiII mixed ligand complexes with halogens: first example of a metal-coordinating tribromide anionElectronic supplementary information (ESI) available: Experimental section; theoretical calculations; discussion. Figures: molecular view of Ni(MeOpdt)2, 1(S) (S1); packing views of 1(S) (S2, S3); packing views of 1 (S4, S5) and 2 (S6); scatter plot of Br1-Br2 versus Br2-Br3 distances for linear tribromides from a search on CSD (S7); Kohn-Sham frontier MO's of co

The first example of a metal complex containing a tribromide anion is presented and characterised by X-ray diffraction. Hybrid DFT calculations were used to investigate the nature of the bond in coordinating trihalides and the differences with the corresponding mono-halide complexes. The first example of a metal complex containing a tribromide anion is presented and investigated by means of experimental and theoretical data.