Information card for entry 1568401

Structure parameters

• Formula: C11 H17 Cl2 N3 O Pt S
• Calculated formula: C11 H17 Cl2 N3 O Pt S
• SMILES: C12Nc3cccc[n]3[Pt]([N]=1CCCS2)(Cl)Cl.C(C)O
• Title of publication: Synthesis, Characterization and Antiproliferative Evaluation of Pt(II) and Pd(II) Complexes with a Thiazine-Pyridine Derivative Ligand
• Authors of publication: Silvia Gutiérrez-Tarriño; Javier Espino; Francisco Luna-Giles; Ana B. Rodríguez; Jos'e A. Pariente; Emilio Viñuelas-Zahínos
• Journal of publication: Pharmaceuticals
• Year of publication: 2021
• Journal volume: 14
• Pages of publication: 395
• a: 12.6205 ± 0.0004 Å
• b: 9.0616 ± 0.0002 Å
• c: 13.8145 ± 0.0004 Å
• α: 90°
• β: 109.54 ± 0.002°
• γ: 90°
• Cell volume: 1488.87 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0494
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0443
• Weighted residual factors for all reflections included in the refinement: 0.0482
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No