Information card for entry 4349736

Structure parameters

• Formula: C12 H13 Cl3 N2 O4 Pt S
• Calculated formula: C12 H13 Cl3 N2 O4 Pt S
• SMILES: [Pt]1([S](=O)(C)C)(Cl)Oc2ccc(c3ccc[n]1c23)N(=O)=O.ClCCl
• Title of publication: A new class of platinum(ii) complexes with the phosphine ligand pta which show potent anticancer activity
• Authors of publication: Živković, M. D.; Kljun, J.; Ilic-Tomic, T.; Pavic, A.; Veselinović, A.; Manojlović, D. D.; Nikodinovic-Runic, J.; Turel, I.
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2018
• Journal volume: 5
• Journal issue: 1
• Pages of publication: 39
• a: 19.3571 ± 0.0007 Å
• b: 6.8349 ± 0.0003 Å
• c: 25.199 ± 0.001 Å
• α: 90°
• β: 95.245 ± 0.004°
• γ: 90°
• Cell volume: 3320 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0295
• Residual factor for significantly intense reflections: 0.0248
• Weighted residual factors for significantly intense reflections: 0.0506
• Weighted residual factors for all reflections included in the refinement: 0.0527
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No