Information card for entry 1570924

Structure parameters

• Formula: C7 H9 Cl2 N3 Pd S
• Calculated formula: C7 H9 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: 8.9806 ± 0.0005 Å
• b: 7.3615 ± 0.0004 Å
• c: 16.2772 ± 0.001 Å
• α: 90°
• β: 101.738 ± 0.002°
• γ: 90°
• Cell volume: 1053.59 ± 0.1 ų
• Cell temperature: 101 ± 2 K
• Ambient diffraction temperature: 101 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0173
• Residual factor for significantly intense reflections: 0.0161
• Weighted residual factors for significantly intense reflections: 0.0503
• Weighted residual factors for all reflections included in the refinement: 0.0513
• 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