Figure 1 : Optimized geometries and important geometrical parameters of S2N2 , [S2N2(Mo(NO)Cl4)]¯(1Mo ) and S2N2[Mo(NO)Cl4)2]2(2Mo ) at the BP86/TZ2P/ZORA level of theory using ADF program package. Distances are given in angstroms (Å) and angles are given in degrees (°). The number of imaginary frequencies (Nimg) and the point group symmetry are also given. Experimental parameters from crystal structure are given in italics (red colour).