Information card for entry 7022953

Structure parameters

• Formula: C19 H11 Cl2 Cu N3 O S2
• Calculated formula: C19 H11 Cl2 Cu N3 O S2
• SMILES: [Cu]12(Cl)(Cl)[n]3ccsc3c3[n]1c(cc(c3)c1oc3ccccc3c1)c1scc[n]21
• 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: 7.9078 ± 0.0011 Å
• b: 11.147 ± 0.0016 Å
• c: 11.5729 ± 0.0016 Å
• α: 111.368 ± 0.002°
• β: 92.003 ± 0.002°
• γ: 90.218 ± 0.002°
• Cell volume: 949.3 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0453
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0895
• Weighted residual factors for all reflections included in the refinement: 0.0972
• 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