Information card for entry 7719759

Structure parameters

• Chemical name: 1
• Formula: C12 H9 F3 N2 S
• Calculated formula: C12 H9 F3 N2 S
• Title of publication: Platinum(II) complexes of fluorinated pyrrole carbothioamides: enhanced anticancer activity and overcoming cisplatin resistance.
• Authors of publication: Tang, Haiming; Chen, Chen; Fu, Yuhang; Sun, Tong; Yin, Li; He, Mingyuan; Fu, Qin; Li, Qin; Liu, Yu; Chen, Ziyun; Jamieson, Stephen M. F.; Söhnel, Tilo; Hartinger, Christian G.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 46
• Pages of publication: 17112 - 17120
• a: 13.9637 ± 0.0004 Å
• b: 8.9883 ± 0.0002 Å
• c: 10.1085 ± 0.0003 Å
• α: 90°
• β: 103.031 ± 0.003°
• γ: 90°
• Cell volume: 1236.05 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• 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: 0.0478
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.1237
• Weighted residual factors for all reflections included in the refinement: 0.1279
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No