Information card for entry 7240545

Structure parameters

• Formula: C20 H23 Cl2 Ga N4 S
• Calculated formula: C20 H23 Cl2 Ga N4 S
• SMILES: [Ga]12(SC(=N[N]1=C(c1ccccc1)c1[n]2cccc1)N(C1CCCCC1)C)(Cl)Cl
• Title of publication: Synthesis, crystal structure and antiproliferative mechanisms of gallium(iii) complexes with benzoylpyridine thiosemicarbazones
• Authors of publication: Qi, Jinxu; Liu, Taichen; Zhao, Wei; Zheng, Xinhua; Wang, Yihong
• Journal of publication: RSC Advances
• Year of publication: 2020
• Journal volume: 10
• Journal issue: 32
• Pages of publication: 18553 - 18559
• a: 10.6296 ± 0.0006 Å
• b: 12.6093 ± 0.0008 Å
• c: 16.8042 ± 0.0011 Å
• α: 90°
• β: 100.854 ± 0.001°
• γ: 90°
• Cell volume: 2212 ± 0.2 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 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: 0.0529
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0894
• Weighted residual factors for all reflections included in the refinement: 0.0969
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No