Information card for entry 1570923

Structure parameters

• Formula: C6 H7 Cl2 N3 Pd S
• Calculated formula: C6 H7 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: 16.317 ± 0.003 Å
• b: 6.7035 ± 0.001 Å
• c: 8.7925 ± 0.0014 Å
• α: 90°
• β: 95.489 ± 0.009°
• γ: 90°
• Cell volume: 957.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0257
• Residual factor for significantly intense reflections: 0.0243
• Weighted residual factors for significantly intense reflections: 0.0643
• Weighted residual factors for all reflections included in the refinement: 0.0654
• Goodness-of-fit parameter for all reflections included in the refinement: 0.875
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No