Information card for entry 7712705

Structure parameters

• Formula: C13 H12 Cl2 N4 S Zn
• Calculated formula: C13 H12 Cl2 N4 S Zn
• SMILES: [Zn]12(Cl)(Cl)[S]=C(Nc3ccccc3)N[N]1=Cc1[n]2cccc1
• 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: 7.2908 ± 0.0006 Å
• b: 9.6604 ± 0.001 Å
• c: 10.9647 ± 0.001 Å
• α: 82.285 ± 0.008°
• β: 82.036 ± 0.007°
• γ: 89.835 ± 0.008°
• Cell volume: 757.8 ± 0.12 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 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: 0.0873
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.0896
• Weighted residual factors for all reflections included in the refinement: 0.1147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0123
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No