Information card for entry 1570927

Structure parameters

• Formula: C18 H15 Cl2 N3 Pd S
• Calculated formula: C18 H15 Cl2 N3 Pd S
• SMILES: [Pd]1(Cl)(Cl)[N]2=C(n3[n]1c(cc3c1ccccc1)c1ccccc1)SCC2
• Title of publication: Cytotoxic Effects of New Palladium(II) Complexes with Thiazine or Thiazoline Derivative Ligands in Tumor Cell Lines
• Authors of publication: Fernandez-Delgado, Elena Estirado, Samuel Rodriguez, Ana B. Luna-Giles, Francisco Vinuelas-Zahinos, Emilio Espino, Javier Pariente, Jose A.
• Journal of publication: Pharmaceutics
• Year of publication: 2023
• Journal volume: 15
• Pages of publication: 696
• a: 9.5024 ± 0.0006 Å
• b: 9.7838 ± 0.0006 Å
• c: 11.4434 ± 0.0007 Å
• α: 76.448 ± 0.003°
• β: 71.639 ± 0.003°
• γ: 62.954 ± 0.003°
• Cell volume: 894.07 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 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: 0.0541
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0653
• Weighted residual factors for all reflections included in the refinement: 0.0705
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No