Information card for entry 7060084

Structure parameters

• Formula: C11 H12 Cl N O2 Pt S
• Calculated formula: C11 H12 Cl N O2 Pt S
• SMILES: c12cccc3ccc[n](c13)[Pt](Cl)(O2)[S](C)(C)=O
• Title of publication: High cytotoxic and apoptotic effects of platinum(ii) complexes bearing the 4-acridinol ligand
• Authors of publication: Shao, Tai-Ming; Wei, Zu-Zhuang; Luo, Xiao-Ling; Qin, Qi-Pin; Tan, Ming-Xiong; Zeng, Jia-Jing; Liang, Chun-Jie; Liang, Hong
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 45
• Pages of publication: 19885 - 19890
• a: 7.2856 ± 0.0001 Å
• b: 17.1489 ± 0.0002 Å
• c: 9.9031 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1237.29 ± 0.03 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0245
• Residual factor for significantly intense reflections: 0.0236
• Weighted residual factors for significantly intense reflections: 0.0583
• Weighted residual factors for all reflections included in the refinement: 0.0592
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No