Information card for entry 7708040

Structure parameters

• Formula: C22 H29 Cl6 Fe N10 O4 S2
• Calculated formula: C22 H29 Cl6 Fe N10 O4 S2
• SMILES: [Fe]12(Cl)(Cl)([n]3ccccc3C(=[N]1/N=C1\SCC(=O)N1C)N)[n]1c(C(N)=[N]2/N=C2\SCC(=O)N2C)cccc1.[Cl-].C(Cl)(Cl)Cl.O.OC
• 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: 10.621 ± 0.005 Å
• b: 11.518 ± 0.006 Å
• c: 14.354 ± 0.008 Å
• α: 83.66 ± 0.02°
• β: 86.09 ± 0.03°
• γ: 75 ± 0.02°
• Cell volume: 1684.3 ± 1.5 ų
• Cell temperature: 386 ± 2 K
• Ambient diffraction temperature: 386 ± 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: 0.072
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1395
• Weighted residual factors for all reflections included in the refinement: 0.1482
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No