Information card for entry 4349735

Structure parameters

• Formula: C11 H11 Cl N2 O4 Pt S
• Calculated formula: C11 H11 Cl N2 O4 Pt S
• SMILES: c1cc2c3[n]([Pt](O2)(Cl)[S](C)(=O)C)cccc3c1N(=O)=O
• 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: 9.4359 ± 0.0006 Å
• b: 6.7378 ± 0.0004 Å
• c: 10.5414 ± 0.0005 Å
• α: 90°
• β: 97.352 ± 0.005°
• γ: 90°
• Cell volume: 664.68 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0429
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0814
• Weighted residual factors for all reflections included in the refinement: 0.0833
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No