Information card for entry 7052965

Structure parameters

• Formula: C40 H44 Cl2 Cu4 N14 O18 S4
• Calculated formula: C40 H44 Cl2 Cu4 N14 O18 S4
• SMILES: C12c3c(N4[Cu]56(N(C7C4=[O][Cu]4([n]8c(N)scc8c8[n]4c(N)sc8)([O]=C4c8c(N9C%10C(N%11[Cu]%129([NH](CCC%11)CC[OH]%12)O4)=[O][Cu]4([O]=2)([n]2c(N)scc2c2[n]4c(N)sc2)[O]=%10)cccc8)[O]=7)CCC[NH]5CC[OH]6)O1)cccc3.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Syntheses and structures of tetracopper(ii) complexes with an N-benzoate-N′-[3-(2-hydroxylethylammino)propyl]oxamide ligand: reactivity towards DNA, cytotoxic and antimicrobial activities
• Authors of publication: Li, Xin; Li, Xue-Jie; Li, Yan-Tuan; Wu, Zhi-Yong; Yan, Cui-Wei
• Journal of publication: New Journal of Chemistry
• Year of publication: 2012
• Journal volume: 36
• Journal issue: 12
• Pages of publication: 2472
• a: 13.9583 ± 0.0013 Å
• b: 25.467 ± 0.002 Å
• c: 15.4276 ± 0.0015 Å
• α: 90°
• β: 103.572 ± 0.006°
• γ: 90°
• Cell volume: 5331 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0605
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.1056
• Weighted residual factors for all reflections included in the refinement: 0.1163
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No