Information card for entry 7029070

Structure parameters

• Formula: C20 H18 O2 Pt S4
• Calculated formula: C20 H18 O2 Pt S4
• SMILES: [Pt]12(OC(=CC(=[S]1)SC)c1ccccc1)[S]=C(C=C(O2)c1ccccc1)SC
• Title of publication: Novel platinum(ii) compounds with O,S bidentate ligands: synthesis, characterization, antiproliferative properties and biomolecular interactions.
• Authors of publication: Mügge, Carolin; Liu, Ruiqi; Görls, Helmar; Gabbiani, Chiara; Michelucci, Elena; Rüdiger, Nadine; Clement, Joachim H.; Messori, Luigi; Weigand, Wolfgang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 8
• Pages of publication: 3072 - 3086
• a: 9.2471 ± 0.0004 Å
• b: 22.4832 ± 0.0009 Å
• c: 10.1091 ± 0.0005 Å
• α: 90°
• β: 103.774 ± 0.003°
• γ: 90°
• Cell volume: 2041.29 ± 0.16 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0846
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.0828
• Weighted residual factors for all reflections included in the refinement: 0.0929
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No