Information card for entry 1549625

Structure parameters

• Formula: C30 H30 Ga N9 O3 S2
• Calculated formula: C30 H30 Ga N9 O3 S2
• SMILES: [Ga]1234([n]5c(C(=[N]2N=C(S1)N(C)C)c1ccccc1)cccc5)SC(N(C)C)=N[N]3=C(c1[n]4cccc1)c1ccccc1.N(=O)(=O)[O-]
• 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: 18.441 Å
• b: 8.936 Å
• c: 21.809 Å
• α: 90°
• β: 94.29°
• γ: 90°
• Cell volume: 3583.81 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.226
• Residual factor for significantly intense reflections: 0.143
• Weighted residual factors for significantly intense reflections: 0.3635
• Weighted residual factors for all reflections included in the refinement: 0.3933
• Goodness-of-fit parameter for all reflections included in the refinement: 1.268
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No