Structural Flexibility in Octahedral Tin(IV) Bischelates: Electronic and Hybridization Effects

PM3 calculations on the bis chelates containing acetylacetonato and dithiocarbamato groups with two monodentate ligands reveal the existence of cis and skew trapezoidal bipyramid( STB) octahedral geometry for these complexes. The calculations also show that the nitrato complexes assume bicapped tetrahedral geometry. Crystallographic investigation on the complex, Br 2 Sn[S 2 CN(C 2 H 5 ) 2 ] 2 confirms the cis orientation of the bromine atoms, as predicted by the calculations.