Information card for entry 7227929

Structure parameters

• Formula: C12 H16 Cu N6 O9 S
• Calculated formula: C12 H16 Cu N6 O9 S
• 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: 8.5965 ± 0.0008 Å
• b: 10.0815 ± 0.0009 Å
• c: 12.1404 ± 0.0014 Å
• α: 110.051 ± 0.002°
• β: 95.727 ± 0.001°
• γ: 90.148 ± 0.001°
• Cell volume: 982.69 ± 0.17 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.2048
• Residual factor for significantly intense reflections: 0.1694
• Weighted residual factors for significantly intense reflections: 0.4316
• Weighted residual factors for all reflections included in the refinement: 0.4537
• Goodness-of-fit parameter for all reflections included in the refinement: 1.705
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No