Information card for entry 1551519

Structure parameters

• Formula: C38 H58 N14 S4 Zn2
• Calculated formula: C38 H58 N14 S4 Zn2
• SMILES: [Zn]123SC(=N[N]1=C(c1nc(C(=[N]4[Zn]56(SC(=N[N]5=C(c5cccc(C(=[N]2N=C(NC(C)(C)C)S3)C)[n]65)C)NC(C)(C)C)SC(=N4)NC(C)(C)C)C)ccc1)C)NC(C)(C)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: 13.4772 ± 0.0005 Å
• b: 28.625 ± 0.0008 Å
• c: 14.2565 ± 0.0005 Å
• α: 90°
• β: 106.245 ± 0.004°
• γ: 90°
• Cell volume: 5280.4 ± 0.3 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• 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: 0.0936
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.1606
• Weighted residual factors for all reflections included in the refinement: 0.1861
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.7103 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No