Information card for entry 7708041

Structure parameters

• Formula: C20 H24 Cl2 Cu N10 O3 S2
• Calculated formula: C20 H24 Cl2 Cu N10 O3 S2
• SMILES: [Cu]12(Cl)([n]3c(C(=[N]2/N=C2\SCC(=O)N2C)N)cccc3)[n]2c(C(=[N]1/N=C1\SCC(=O)N1C)N)cccc2.[Cl-].O
• Title of publication: Synthesis, crystal structures, anticancer activities and molecular docking studies of novel thiazolidinone Cu(II) and Fe(III) complexes targeting lysosomes: special emphasis on their binding to DNA/BSA
• Authors of publication: Shao, Jia; Zhang, Qiang; Wei, Jing; Yuchi, Zhiguang; Cao, Peng; Li, Shao-Qing; Wang, Shan; Xu, Jing-Yuan; Yang, Shuang; Zhang, Yi; Wei, Jinxia; Tian, Jin-Lei
• Journal of publication: Dalton Transactions
• Year of publication: 2021
• a: 7.8 ± 0.0016 Å
• b: 11.885 ± 0.002 Å
• c: 15.9 ± 0.003 Å
• α: 75.57 ± 0.03°
• β: 80.72 ± 0.03°
• γ: 78.17 ± 0.03°
• Cell volume: 1387.7 ± 0.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.137
• Residual factor for significantly intense reflections: 0.0865
• Weighted residual factors for significantly intense reflections: 0.2038
• Weighted residual factors for all reflections included in the refinement: 0.2371
• Goodness-of-fit parameter for all reflections included in the refinement: 0.949
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No