Information card for entry 7041601

Structure parameters

• Formula: C15 H15 Cl2 N3 O Pt S
• Calculated formula: C15 H15 Cl2 N3 O Pt S
• SMILES: [Pt](Cl)(Cl)([S](=O)(C)C)[n]1cc(nc2c1cccc2)c1ncccc1
• Title of publication: Synthesis, reactivity and characterization of Pt(ii) complexes with N,N' chelating ligands; structure and dimethylsulfoxide reactivity relationship.
• Authors of publication: Ypsilantis, Konstantinos; Tsolis, Theodoros; Kourtellaris, Andreas; Manos, Manolis J.; Plakatouras, John C.; Garoufis, Achilleas
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 5
• Pages of publication: 1467 - 1480
• a: 20.87 ± 0.002 Å
• b: 7.784 ± 0.0006 Å
• c: 20.87 ± 0.002 Å
• α: 90°
• β: 98.119 ± 0.001°
• γ: 90°
• Cell volume: 3356.4 ± 0.5 ų
• Cell temperature: 100.4 ± 0.14 K
• Ambient diffraction temperature: 100.4 ± 0.14 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0774
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1274
• Weighted residual factors for all reflections included in the refinement: 0.1471
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No