Information card for entry 7228281

Structure parameters

• Formula: C8 H9 Cl N4 Pt S
• Calculated formula: C8 H9 Cl N4 Pt S
• SMILES: [Pt]12([n]3c(C(C)=[N]2N=C(S1)N)cccc3)Cl
• Title of publication: Three Pt(ii) complexes based on thiosemicarbazone: synthesis, HSA interaction, cytotoxicity, apoptosis and cell cycle arrest
• Authors of publication: Lin, Xu-Dong; Liu, Ya-Hong; Xie, Cheng-Zhi; Bao, Wei-Guo; Shen, Jun; Xu, Jing-Yuan
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 42
• Pages of publication: 26478
• a: 7.4429 ± 0.0007 Å
• b: 13.5839 ± 0.0013 Å
• c: 10.5375 ± 0.001 Å
• α: 90°
• β: 95.673 ± 0.002°
• γ: 90°
• Cell volume: 1060.16 ± 0.17 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 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: 0.0174
• Residual factor for significantly intense reflections: 0.0161
• Weighted residual factors for significantly intense reflections: 0.0379
• Weighted residual factors for all reflections included in the refinement: 0.0384
• Goodness-of-fit parameter for all reflections included in the refinement: 0.784
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No