Information card for entry 7711741

Structure parameters

• Formula: C8 H11 Cl2 N O2 Pt S
• Calculated formula: C8 H11 Cl2 N O2 Pt S
• Title of publication: A trans-Pt(II) hedgehog pathway inhibitor complex with cytotoxicity towards breast cancer stem cells and triple negative breast cancer cells
• Authors of publication: Ryan, Aisling L.; Northcote-Smith, Joshua; Mckeon, Aoife M.; Roe, Andrew; O’Dowd, Paul; Twamley, Brendan; Ní Chonghaile, Triona; Suntharalingam, Kogularamanan; Griffith, Darren Martin
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 7.8958 ± 0.0004 Å
• b: 8.1157 ± 0.0004 Å
• c: 19.7202 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1263.67 ± 0.11 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: 0.0192
• Residual factor for significantly intense reflections: 0.0163
• Weighted residual factors for significantly intense reflections: 0.0268
• Weighted residual factors for all reflections included in the refinement: 0.0274
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No