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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

Publiceringsår: 2006
Språk: Engelska
Sidor: 474-479
Publikation/Tidskrift/Serie: Acta Crystallographica. Section B: Structural Science, Crystal Engineering and Materials
Volym: 62
Nummer: 3
Dokumenttyp: Artikel i tidskrift
Förlag: Wiley-Blackwell


Trans-PtCl2(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-PtX2L2 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- 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.


  • Organic Chemistry
  • Natural Sciences
  • Physical Sciences


  • ISSN: 2052-5206

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