Information card for entry 1549626

Structure parameters

• Formula: C30 H30 Cd Cl0 N8 O0 S2
• Calculated formula: C30 H30 Cd N8 S2
• SMILES: [Cd]1234(SC(=N[N]1=C(c1ccccc1)c1[n]2cccc1)N(C)C)SC(=N[N]3=C(c1ccccc1)c1[n]4cccc1)N(C)C
• 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: 16.9715 ± 0.001 Å
• b: 23.6235 ± 0.0015 Å
• c: 15.9881 ± 0.001 Å
• α: 90°
• β: 102.867 ± 0.001°
• γ: 90°
• Cell volume: 6249.1 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0366
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0708
• Weighted residual factors for all reflections included in the refinement: 0.0743
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No