Acta Crystallographica Section B

Structural Science

Volume 62, Part 3 (June 2006)

research papers

Acta Cryst. (2006). B62, 474-479 [ doi:10.1107/S0108768106004629 ]

Cis/trans isomers of PtX₂L₂ (X = halogen, L = neutral ligand); the crystal structure of trans-dichlorobis(dimethyl sulfide)platinum(II) and the pressure dependence of its unit-cell dimensions

C. Hansson, S. Carlson, D. Giveen, M. Johansson, S. Yong and Å. Oskarsson

Abstract: trans-PtCl₂(dms)₂ (dms is dimethyl sulfide) crystallizes in the space group P2₁/n and adopts the molecular point group C_i, which is the most frequently occurring point group for trans-PtX₂L₂ complexes (78%), as observed in the Cambridge Structural Database (CSD; 2005 release), followed by C₁ (16%). Density functional theory calculations show that the observed geometry for trans-PtCl₂(dms)₂ has slightly higher energy than the most favorable geometry in the point group C_2h, but this geometry would require a space group that hampers close packing, thus showing that intermolecular forces determine the point group for the title compound. High-pressure powder diffraction studies of trans-PtCl₂(dms)₂ show no phase transformation up to 8.0 GPa. The bulk modulus is 8.1 (6) GPa and the pressure derivative 8.1 (4). In the CSD, the number of cis- and trans-PtX₂L₂ compounds are almost equal, viz. 156 cis and 160 trans compounds, showing no preference for either isomer in the solid state.

Keywords: structural classes; high pressure; cis and trans isomerism; platinum compounds.


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