Information card for entry 1551518

Structure parameters

• Formula: C52 H72 N28 S8 Zn4
• Calculated formula: C52 H72 N28 S8 Zn4
• SMILES: C1(=[N]2N=C(NC)S[Zn]342[n]2c1cccc2C(=[N]1NC(=[S][Zn]251[n]1c(C(=[N]3NC(=[S]4)NC)C)cccc1C(=[N]2N=C(NC)S5)C)NC)C)C.C1(=[N]2[Zn]345([n]6c1cccc6C(C)=[N]1NC(=[S][Zn]61[S]=C(N[N]6=C(C)c1[n]3c(C(=[N]4N=C(S5)NC)C)ccc1)NC)NC)SC(=N2)NC)C
• Title of publication: Anticancer and biological properties of a Zn-2,6-diacetylpyridine bis(thiosemicarbazone) complex.
• Authors of publication: Yu, Ping; Deng, Jungang; Cai, Jinhua; Zhang, Zhenlei; Zhang, Juzheng; Hamid Khan, Muhammad; Liang, Hong; Yang, Feng
• Journal of publication: Metallomics : integrated biometal science
• Year of publication: 2019
• Journal volume: 11
• Journal issue: 8
• Pages of publication: 1372 - 1386
• a: 15.137 ± 0.003 Å
• b: 16.265 ± 0.003 Å
• c: 28.91 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7118 ± 2 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.0976
• Residual factor for significantly intense reflections: 0.0615
• Weighted residual factors for significantly intense reflections: 0.1733
• Weighted residual factors for all reflections included in the refinement: 0.1975
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No