Information card for entry 7227928

Structure parameters

• Formula: C12 H14 N6 O8 S Zn
• Calculated formula: C12 H14 N6 O8 S Zn
• SMILES: [Zn]12([S]=C(N)N[N]2=Cc2c(=[O]1)[nH]c1c(c2)cc(cc1)C)([OH2])ON(=O)=O.O=N(=O)[O-]
• Title of publication: Three novel transition metal complexes of 6-methyl-2-oxo-quinoline-3-carbaldehyde thiosemicarbazone: synthesis, crystal structure, cytotoxicity, and mechanism of action
• Authors of publication: Zou, Bi-Qun; Lu, Xing; Qin, Qi-Pin; Bai, Yu-Xia; Zhang, Ye; Wang, Meng; Liu, Yan-Cheng; Chen, Zhen-Feng; Liang, Hong
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 29
• Pages of publication: 17923
• a: 7.633 ± 0.015 Å
• b: 27.01 ± 0.05 Å
• c: 10.461 ± 0.016 Å
• α: 90°
• β: 125.38 ± 0.1°
• γ: 90°
• Cell volume: 1758 ± 6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1461
• Residual factor for significantly intense reflections: 0.1133
• Weighted residual factors for significantly intense reflections: 0.2895
• Weighted residual factors for all reflections included in the refinement: 0.3252
• Goodness-of-fit parameter for all reflections included in the refinement: 1.431
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No