title: 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.
abstract: trans-PtCl(2)(dms)(2) (dms is dimethyl sulfide) crystallizes in the space group P2(1)/n and adopts the molecular point group C(i), which is the most frequently occurring point group for trans-PtX(2)L(2) complexes (78%), as observed in the Cambridge Structural Database (CSD; 2005 release), followed by C(1) (16%). Density functional theory calculations show that the observed geometry for trans-PtCl(2)(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-PtCl(2)(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-PtX(2)L(2) compounds are almost equal, viz. 156 cis and 160 trans compounds, showing no preference for either isomer in the solid state.
authors.affiliation: Department of Organic Chemistry, Centre for Chemistry and Chemical Engineering, Lund University, PO Box 124, SE-221 00 Lund, Sweden. christian.hansson@inorg.lu.se
authors.forename: Christian
authors.initials: C
authors.lastname: Hansson
authors.forename: Stefan
authors.initials: S
authors.lastname: Carlson
authors.forename: Deborah
authors.initials: D
authors.lastname: Giveen
authors.forename: Maria
authors.initials: M
authors.lastname: Johansson
authors.forename: Shen
authors.initials: S
authors.lastname: Yong
authors.forename: Ake
authors.initials: A
authors.lastname: Oskarsson