Information card for entry 1570922

Structure parameters

• Formula: C9 H13 Cl2 N3 Pd S
• Calculated formula: C9 H13 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: 7.4256 ± 0.0004 Å
• b: 17.6074 ± 0.0012 Å
• c: 18.3241 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2395.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0396
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0787
• Weighted residual factors for all reflections included in the refinement: 0.085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No