Information card for entry 7021850

Structure parameters

• Formula: C11 H10 Cl2 I N O2 Pt S
• Calculated formula: C11 H10 Cl2 I N O2 Pt S
• SMILES: [Pt]1(Cl)([S](=O)(C)C)Oc2c(I)cc(Cl)c3ccc[n]1c23
• Title of publication: Novel clioquinol and its analogous platinum complexes: importance, role of the halogen substitution and the hydroxyl group of the ligand.
• Authors of publication: Martín Santos, Cecilia; Cabrera, Silvia; Ríos-Luci, Carla; Padrón, José M; López Solera, Isabel; Quiroga, Adoración G; Medrano, María A; Navarro-Ranninger, Carmen; Alemán, José
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 37
• Pages of publication: 13343 - 13348
• a: 7.2336 ± 0.0004 Å
• b: 20.5641 ± 0.001 Å
• c: 20.2197 ± 0.001 Å
• α: 90°
• β: 92.986 ± 0.001°
• γ: 90°
• Cell volume: 3003.6 ± 0.3 ų
• Cell temperature: 230 ± 2 K
• Ambient diffraction temperature: 230 ± 2 K
• Number of distinct elements: 8
• 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: 0.0367
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0595
• Weighted residual factors for all reflections included in the refinement: 0.0624
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No