Information card for entry 4039015

Structure parameters

• Formula: C18 H15 Cl2 N3 Pt S
• Calculated formula: C18 H15 Cl2 N3 Pt S
• SMILES: [Pt]1(Cl)(Cl)[N]2=C(n3c(cc(c4ccccc4)[n]13)c1ccccc1)SCC2
• Title of publication: Influence of ligand lipophilicity in Pt(II) complexes on their antiproliferative and apoptotic activities in tumour cell lines
• Authors of publication: Elena Fern'andez-Delgado; Samuel Estirado; Javier Espino; Emilio Viñuelas-Zahínos; Francisco Luna-Giles; Ana B. Rodríguez Moratinos; Jos'e A. Pariente
• Journal of publication: Journal of Inorganic Biochemistry
• Year of publication: 2022
• Journal volume: 227
• Pages of publication: 111688
• a: 9.3943 ± 0.0007 Å
• b: 9.6599 ± 0.0008 Å
• c: 11.7278 ± 0.001 Å
• α: 68.234 ± 0.003°
• β: 76.018 ± 0.003°
• γ: 64.339 ± 0.003°
• Cell volume: 886.73 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0167
• Residual factor for significantly intense reflections: 0.0153
• Weighted residual factors for significantly intense reflections: 0.037
• Weighted residual factors for all reflections included in the refinement: 0.0375
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No