Information card for entry 1551520

Structure parameters

• Formula: C23 H23 Cl2 N7 S2 Zn
• Calculated formula: C23 H21 Cl2 N7 S2 Zn
• SMILES: [Zn]1234(SC(=N[N]3=C(c3[n]4c(ccc3)C(=[N]2N=C(S1)Nc1ccccc1)C)C)Nc1ccccc1)Cl.[Cl-].[Cl-]
• 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: 20.55 ± 0.03 Å
• b: 7.366 ± 0.012 Å
• c: 17.52 ± 0.03 Å
• α: 90°
• β: 105.71 ± 0.03°
• γ: 90°
• Cell volume: 2553 ± 7 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0998
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1338
• Weighted residual factors for all reflections included in the refinement: 0.169
• Goodness-of-fit parameter for all reflections included in the refinement: 0.973
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No