Information card for entry 7226688

Structure parameters

• Chemical name: Complex 1
• Formula: C68 H72 Cl4 Cu4 N4 O12
• Calculated formula: C68 H72 Cl4 Cu4 N4 O12
• SMILES: [Cu]1234(Oc5c(C=[N]1[C@@H](C[O]13[Cu]367(Oc8c(C=[N]3[C@@H](C[O]37[Cu]79(Oc%10c(C=[N]7[C@@H](C[O]269)Cc2ccccc2)cc(Cl)cc%10)([O]24[Cu]413([N]([C@@H](C2)Cc1ccccc1)=Cc1cc(Cl)ccc1O4)[OH]C)[OH]C)Cc1ccccc1)cc(Cl)cc8)[OH]C)Cc1ccccc1)cc(Cl)cc5)[OH]C
• Title of publication: Two Chiral Alkanolamine Schiff base Cu (II) Complexes as Potential Anticancer Agents: Synthesis, Structure, DNA/protein Interactions and Cytotoxic Activity
• Authors of publication: Niu, Meiju; Li, Zhen; Li, Xiao; Huang, Xianqiang
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 13.659 ± 0.0012 Å
• b: 14.6041 ± 0.0013 Å
• c: 18.4079 ± 0.0016 Å
• α: 94.569 ± 0.001°
• β: 101.034 ± 0.002°
• γ: 98.8 ± 0.002°
• Cell volume: 3539.1 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.1947
• Residual factor for significantly intense reflections: 0.1141
• Weighted residual factors for significantly intense reflections: 0.2843
• Weighted residual factors for all reflections included in the refinement: 0.3292
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No