Information card for entry 7706061

Structure parameters

• Formula: C11 H14 Cl2 In N7 S2
• Calculated formula: C11 H14 Cl2 In N7 S2
• SMILES: [In]1234(Cl)(Cl)[S]=C(N[N]2=C(c2cccc(C(C)=[N]3N=C(S1)N)[n]42)C)N
• Title of publication: Synthesis of a series of novel In(III) 2,6-diacetylpyridine bis(thiosemicarbazide) complexes: structure, anticancer function and mechanism.
• Authors of publication: Li, Shanhe; Khan, Muhammad Hamid; Wang, Xiaojun; Cai, Meiling; Zhang, Juzheng; Jiang, Ming; Zhang, Zhenlei; Wen, Xiao-An; Liang, Hong; Yang, Feng
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 47
• Pages of publication: 17207 - 17220
• a: 8.4977 ± 0.0013 Å
• b: 13.297 ± 0.002 Å
• c: 15.646 ± 0.002 Å
• α: 90°
• β: 103.015 ± 0.002°
• γ: 90°
• Cell volume: 1722.5 ± 0.4 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: 0.0294
• Residual factor for significantly intense reflections: 0.0225
• Weighted residual factors for significantly intense reflections: 0.0515
• Weighted residual factors for all reflections included in the refinement: 0.0547
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No