Information card for entry 7712704

Structure parameters

• Formula: C10 H15 Cl N4 O S Zn
• Calculated formula: C10 H15 Cl N4 O S Zn
• SMILES: [Zn]12(SC(=N[N]1=Cc1[n]2cccc1)N(C)C)(Cl)[OH]C
• 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: 7.5232 ± 0.0004 Å
• b: 9.5669 ± 0.0004 Å
• c: 9.781 ± 0.0004 Å
• α: 101.592 ± 0.004°
• β: 94.606 ± 0.004°
• γ: 97.946 ± 0.004°
• Cell volume: 678.74 ± 0.06 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0281
• Residual factor for significantly intense reflections: 0.0253
• Weighted residual factors for significantly intense reflections: 0.0699
• Weighted residual factors for all reflections included in the refinement: 0.072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No