Information card for entry 7125426

Structure parameters

• Formula: C15 H15 Cl2 N O2 Pt S
• Calculated formula: C15 H15 Cl2 N O2 Pt S
• Title of publication: Potent and selective PTP1B inhibition by a platinum(ii) complex: possible implications for a new antitumor strategy.
• Authors of publication: Yuan, Caixia; Wang, Weirong; Wang, Jianwei; Li, Xinhua; Wu, Yan-Bo; Li, Shaodong; Lu, Liping; Zhu, Miaoli; Xing, Shu; Fu, Xueqi
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2019
• Journal volume: 56
• Journal issue: 1
• Pages of publication: 102 - 105
• a: 8.867 ± 0.0018 Å
• b: 12.232 ± 0.002 Å
• c: 15.032 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1630.4 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0521
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.1412
• Weighted residual factors for all reflections included in the refinement: 0.1412
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.72 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No