Information card for entry 7058106

Structure parameters

• Formula: C48 H50 N6 O3 Pt S2
• Calculated formula: C48 H50 N6 O3 Pt S2
• Title of publication: Conformational analysis and potential anticancer activity of [Pt(phen)(L1-κS)2] studied by single crystal X-ray diffraction and variable temperature 1H and 195Pt NMR spectroscopy
• Authors of publication: Kangara, Edmore F.; Peega, Tebogo; Harmse, Leonie; van Wyk, Juanita L.; Levendis, Demetrius C.; Kotzé, Izak A.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 9
• Pages of publication: 3665
• a: 13.9364 ± 0.0002 Å
• b: 18.6081 ± 0.0003 Å
• c: 16.7286 ± 0.0003 Å
• α: 90°
• β: 94.52 ± 0.001°
• γ: 90°
• Cell volume: 4324.73 ± 0.12 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0386
• Residual factor for significantly intense reflections: 0.0225
• Weighted residual factors for significantly intense reflections: 0.0425
• Weighted residual factors for all reflections included in the refinement: 0.045
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No