Information card for entry 7022954

Structure parameters

• Formula: C17 H11 Cl2 Cu N3 S2
• Calculated formula: C17 H11 Cl2 Cu N3 S2
• SMILES: [Cu]12(Cl)(Cl)[n]3c(scc3)c3[n]2c(c2scc[n]12)cc(c1ccccc1)c3
• Title of publication: Self-activating nuclease and anticancer activities of copper(II) complexes with aryl-modified 2,6-di(thiazol-2-yl)pyridine.
• Authors of publication: Li, Lüying; Du, Kejie; Wang, Yi; Jia, Haina; Hou, Xiaojuan; Chao, Hui; Ji, Liangnian
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 32
• Pages of publication: 11576 - 11588
• a: 18.5932 ± 0.0018 Å
• b: 8.4641 ± 0.0008 Å
• c: 23.526 ± 0.002 Å
• α: 90°
• β: 102.327 ± 0.002°
• γ: 90°
• Cell volume: 3617 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0686
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1094
• Weighted residual factors for all reflections included in the refinement: 0.1318
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No