Neutral high-potential nickel triad bisdithiolenes: structure and solid-state NMR properties of Pt[S2C2(CF3)2]2.

X-ray crystallography and solid-state NMR techniques were used to determine the structure and 195Pt NMR chemical shift (CS) tensor of Pt[S2C2(CF3)2]2. This is the first reported crystal structure of a highly oxidizing (CN- or CF3-substituted) neutral bis(dithiolene) complex of a Ni triad metal in its pure form. The 195Pt NMR CS tensor is highly anisotropic and asymmetric; the latter property is attributed to the noninnocent nature of the ligand. The tensor components and orientation are determined with density functional theory calculations.