Information card for entry 1551517

Structure parameters

• Formula: C38 H58 N14 S4 Zn2
• Calculated formula: C38 H58 N14 S4 Zn2
• SMILES: C1(c2nc(ccc2)C(=[N]2[Zn]3([N](N=C(N(CC)CC)S3)=C(c3nc(C(=[N]4N=C(N(CC)CC)S[Zn]54[N]=1N=C(N(CC)CC)S5)C)ccc3)C)SC(=N2)N(CC)CC)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: 20.581 ± 0.006 Å
• b: 13.879 ± 0.004 Å
• c: 16.592 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4739 ± 2 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0572
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0961
• Weighted residual factors for all reflections included in the refinement: 0.1079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No