Information card for entry 4039026

Structure parameters

• Formula: C12 H11 Cl4 N3 Pd S2
• Calculated formula: C12 H11 Cl4 N3 Pd S2
• SMILES: [Pd]1([N]2=C(N3C(=[N]1c1ccc(Cl)c(Cl)c1)SCC3)SCC2)(Cl)Cl
• Title of publication: Pt(II) and Pd(II) complexes with a thiazoline derivative ligand: Synthesis, structural characterization, antiproliferative activity and evaluation of proapoptotic ability in tumor cell lines HT-29 and U-937
• Authors of publication: Fernandez-Delgado, Elena de la Cruz-Martinez, Felipe Galan, Carmen Franco, Lourdes Espino, Javier Vinuelas-Zahinos, Emilio Lu Bejarano, Ignacio
• Journal of publication: Journal of Inorganic Biochemistry
• Year of publication: 2020
• Journal volume: 202
• Pages of publication: 110870
• a: 8.971 ± 0.005 Å
• b: 9.039 ± 0.005 Å
• c: 11.497 ± 0.005 Å
• α: 76.613 ± 0.005°
• β: 89.317 ± 0.005°
• γ: 69.446 ± 0.005°
• Cell volume: 846.7 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.0271
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.0626
• Weighted residual factors for all reflections included in the refinement: 0.0636
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No