Information card for entry 4349737

Structure parameters

• Formula: C13 H14 Cl3 N O2.33333 Pt S
• Calculated formula: C13 H14 Cl3 N O2.33333 Pt S
• SMILES: [Pt]1([S](=O)(C)C)(Cl)Oc2c(Cl)cc(Cl)c3ccc([n]1c23)C.O=C(C)C
• 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: 23.9829 ± 0.0005 Å
• b: 10.1789 ± 0.0003 Å
• c: 20.8153 ± 0.0005 Å
• α: 90°
• β: 103.822 ± 0.002°
• γ: 90°
• Cell volume: 4934.3 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.0358
• Residual factor for significantly intense reflections: 0.0247
• Weighted residual factors for significantly intense reflections: 0.0423
• Weighted residual factors for all reflections included in the refinement: 0.0448
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No