Information card for entry 7029069

Structure parameters

• Formula: C13 H17 Cl O2 Pt S3
• Calculated formula: C13 H17 Cl O2 Pt S3
• SMILES: [Pt]1([S]=C(C=C(O1)c1ccccc1)SCC)(Cl)[S](=O)(C)C
• 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: 7.2779 ± 0.0002 Å
• b: 38.6448 ± 0.0011 Å
• c: 11.8038 ± 0.0003 Å
• α: 90°
• β: 90.262 ± 0.001°
• γ: 90°
• Cell volume: 3319.82 ± 0.16 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 6
• 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: 0.0799
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.0927
• Weighted residual factors for all reflections included in the refinement: 0.1034
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No