Acta Cryst. (2003). C59, m432-m434 [doi:10.1107/S0108270103020225]
Abstract: The title compounds, chlorotris(dimethyl sulfide-![[bold kappa]](/logos/entities/kappa_bdgif.gif)
S)platinum(II) hexafluorophosphate, [PtCl(C2H6S)3]PF6, and bromotris(dimethyl sulfide-S)platinum(II) hexafluorophosphate, [PtBr(C2H6S)3]PF6, are isomorphous and are composed of [PtX(dms)3]+ complex cations (X = Cl and Br, and dms is dimethyl sulfide) and PF6- anions. The Pt atom is coordinated by three S atoms and one X atom in a pseudo-square-planar coordination, with Pt-S distances in the range 2.293 (1)-2.319 (2) Å. Two dms ligands have a staggered conformation with respect to the coordination plane, while the third is rotated by 
90° compared with the orientation of the other two. The packing can be described as consisting of [PtX(dms)3]2(PF6)2 units with a centre of symmetry. In this description, the PtII atom has a pseudo-octahedral coordination, with four normal bonds and two long weak interactions. Density-functional theory calculations show that a conformation in which one dms ligand is not staggered is less favourable than having all three dms ligands staggered.
Formula: [PtCl(C2H6S)3]PF6 and [PtBr(C2H6S)3]PF6
Online 11 October 2003
 |   Structure factor file (CIF format) (170.3 kbytes) |
| Structure factor file (CIF format) (163.1 kbytes) |
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