Information card for entry 1570925

Structure parameters

• Formula: C8 H11 Cl2 N3 Pd S
• Calculated formula: C8 H11 Cl2 N3 Pd S
• 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: 17.9491 ± 0.0018 Å
• b: 7.2963 ± 0.0007 Å
• c: 17.5523 ± 0.0015 Å
• α: 90°
• β: 91.305 ± 0.003°
• γ: 90°
• Cell volume: 2298.1 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.086
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.1311
• Weighted residual factors for all reflections included in the refinement: 0.1411
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No