Information card for entry 7120754

Structure parameters

• Formula: C28 H28 In N9 O4 S2
• Calculated formula: C28 H26 In N9 O4 S2
• SMILES: [In]1234(SC(Nc5ccccc5)=N[N]1=C(C)c1[n]2cccc1)SC(Nc1ccccc1)=N[N]3=C(C)c1[n]4cccc1.N(=O)(=O)[O-].O
• Title of publication: Cu(II), Ga(III) and In(III) Complexes of 2-Acetylpyridine N(4)-phenylthiosemicarbazone: Synthesis, Spectral Characterization and Biological Activities
• Authors of publication: Wang, Yu-Ting; Fang, Yan; Zhao, Meng; Li, Xue; Ji, Yu-Mei; Han, Qiuxia
• Journal of publication: Med. Chem. Commun.
• Year of publication: 2017
• a: 19.8872 ± 0.0019 Å
• b: 15.2811 ± 0.0014 Å
• c: 20.7702 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6312 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0965
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.1035
• Weighted residual factors for all reflections included in the refinement: 0.113
• Goodness-of-fit parameter for all reflections included in the refinement: 0.854
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No