Information card for entry 7040279

Structure parameters

• Formula: C12 H15 Cl O3 Pt S3
• Calculated formula: C12 H15 Cl O3 Pt S3
• SMILES: [Pt]1(OC(=CC(=[S]1)SC)c1cccc(O)c1)(Cl)[S](=O)(C)C
• Title of publication: Platinum(ii) O,S complexes as potential metallodrugs against Cisplatin resistance.
• Authors of publication: Hildebrandt, Jana; Häfner, Norman; Görls, Helmar; Kritsch, Daniel; Ferraro, Giarita; Dürst, Matthias; Runnebaum, Ingo B.; Merlino, Antonello; Weigand, Wolfgang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 47
• Pages of publication: 18876 - 18891
• a: 12.8077 ± 0.0004 Å
• b: 16.5312 ± 0.0005 Å
• c: 7.3048 ± 0.0002 Å
• α: 90°
• β: 92.12 ± 0.002°
• γ: 90°
• Cell volume: 1545.56 ± 0.08 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 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: 0.0405
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0487
• Weighted residual factors for all reflections included in the refinement: 0.0512
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No