Information card for entry 7040274

Structure parameters

• Formula: C13 H17 Cl O3 Pt S3
• Calculated formula: C13 H17 Cl O3 Pt S3
• SMILES: [Pt]1(OC(=CC(=[S]1)SC)c1ccccc1OC)(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: 10.9758 ± 0.0002 Å
• b: 19.2769 ± 0.0004 Å
• c: 8.0124 ± 0.0002 Å
• α: 90°
• β: 96.398 ± 0.001°
• γ: 90°
• Cell volume: 1684.7 ± 0.06 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: 0.0174
• Residual factor for significantly intense reflections: 0.0162
• Weighted residual factors for significantly intense reflections: 0.0366
• Weighted residual factors for all reflections included in the refinement: 0.0371
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No