Information card for entry 7712702

Structure parameters

• Formula: C7 H8 Cl2 N4 S Zn
• Calculated formula: C7 H8 Cl2 N4 S Zn
• SMILES: [Zn]12([S]=C(N[N]1=Cc1[n]2cccc1)N)(Cl)Cl
• 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: 7.4725 ± 0.0002 Å
• b: 13.9731 ± 0.0005 Å
• c: 10.8484 ± 0.0004 Å
• α: 90°
• β: 93.392 ± 0.003°
• γ: 90°
• Cell volume: 1130.74 ± 0.07 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 6
• 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: 0.0299
• Residual factor for significantly intense reflections: 0.0249
• Weighted residual factors for significantly intense reflections: 0.065
• Weighted residual factors for all reflections included in the refinement: 0.068
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No