Information card for entry 7040273

Structure parameters

• Formula: C10 H10 O2 S2
• Calculated formula: C10 H10 O2 S2
• SMILES: S=C(SC)/C=C(O)/c1cccc(O)c1
• 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: 3.9126 ± 0.0001 Å
• b: 11.6243 ± 0.0005 Å
• c: 22.2479 ± 0.0009 Å
• α: 98.186 ± 0.002°
• β: 90.339 ± 0.002°
• γ: 94.31 ± 0.002°
• Cell volume: 998.58 ± 0.06 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0999
• Residual factor for significantly intense reflections: 0.0737
• Weighted residual factors for significantly intense reflections: 0.1367
• Weighted residual factors for all reflections included in the refinement: 0.1506
• Goodness-of-fit parameter for all reflections included in the refinement: 1.169
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No