Information card for entry 7712703

Structure parameters

• Formula: C16 H18 N8 S2 Zn
• Calculated formula: C16 H18 N8 S2 Zn
• SMILES: [Zn]1234(SC(=N[N]2=Cc2[n]4cccc2)NC)SC(=N[N]1=Cc1[n]3cccc1)NC
• Title of publication: Development of zinc(II) 2-pyridinecarboxaldehyde thiosemicarbazone complex with remarkable antitumor and antiangiogenic activities
• Authors of publication: Jiang, Ming; Pang, Jinhui; Jia, Xiaoying; Chu, Yong; Li, Wenjuan; Liang, Hong; Yang, Feng
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 9.4043 ± 0.0008 Å
• b: 12.9146 ± 0.0014 Å
• c: 16.6007 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2016.2 ± 0.3 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0405
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0798
• Weighted residual factors for all reflections included in the refinement: 0.0856
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9901
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No