Information card for entry 1551516

Structure parameters

• Formula: C23 H29 N14 O S4 Zn2
• Calculated formula: C23 H26 N14 O S4 Zn2
• SMILES: [Zn]123[N](N=C(N)S3)=C(C)c3cccc4[n]3[Zn]356(SC(=N[N]3=C4C)N)[N](N=C(N)S6)=C(C)c3cccc([n]53)C(=[N]1N=C(N)S2)C.O.O
• 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: 10.4181 ± 0.0004 Å
• b: 10.6411 ± 0.0004 Å
• c: 16.2688 ± 0.0006 Å
• α: 80.586 ± 0.003°
• β: 89.162 ± 0.003°
• γ: 62.19 ± 0.004°
• Cell volume: 1569.83 ± 0.12 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0457
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0968
• Weighted residual factors for all reflections included in the refinement: 0.1022
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No