Information card for entry 7029068

Structure parameters

• Formula: C12 H14 Br Cl O2 Pt S3
• Calculated formula: C12 H14 Br Cl O2 Pt S3
• SMILES: [Pt]1(OC(=CC(=[S]1)SC)c1ccc(Br)cc1)(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: 10.3014 ± 0.0003 Å
• b: 18.1303 ± 0.0005 Å
• c: 35.8617 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6697.8 ± 0.3 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1527
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.057
• Weighted residual factors for all reflections included in the refinement: 0.0729
• Goodness-of-fit parameter for all reflections included in the refinement: 0.898
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No