Information card for entry 1549627

Structure parameters

• Formula: C29 H28 N4 O2 S Sn
• Calculated formula: C29 H28 N4 O2 S Sn
• SMILES: [Sn]123(SC(N(C)C)=N[N]1=C(c1[n]2cccc1)c1ccccc1)(c1ccccc1)(c1ccccc1)[O]=C(C)O3
• Title of publication: Less toxic zinc(ii), diorganotin(iv), gallium(iii) and cadmium(ii) complexes derived from 2-benzoylpyridine <i>N</i>,<i>N</i>-dimethylthiosemicarbazone: synthesis, crystal structures, cytotoxicity and investigations of mechanisms of action.
• Authors of publication: Fang, Yan; Li, Jie; Han, Pei-Pei; Han, Qiu-Xia; Li, Ming-Xue
• Journal of publication: Toxicology research
• Year of publication: 2018
• Journal volume: 7
• Journal issue: 5
• Pages of publication: 987 - 993
• a: 17.15 ± 0.02 Å
• b: 10.549 ± 0.013 Å
• c: 16.45 ± 0.02 Å
• α: 90°
• β: 101.78 ± 0.03°
• γ: 90°
• Cell volume: 2913 ± 6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.0422
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0745
• Weighted residual factors for all reflections included in the refinement: 0.0795
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No