Information card for entry 7226689

Structure parameters

• Chemical name: Complex 2
• Formula: C68 H72 Cl4 Cu4 N4 O12
• Calculated formula: C68 H72 Cl4 Cu4 N4 O12
• SMILES: c12ccc(cc1C=[N]1[Cu]3(O2)[O](C[C@@H]1Cc1ccccc1)[Cu]12([N](=Cc4c(O1)ccc(c4)Cl)[C@@H](Cc1ccccc1)C[O]2[Cu]12[N](=Cc4c(O1)ccc(c4)Cl)[C@@H](Cc1ccccc1)C[O]2[Cu]12([N](=Cc4c(O1)ccc(c4)Cl)[C@@H](Cc1ccccc1)C[O]32)[OH]C)[OH]C)Cl.OC.OC
• 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: 23.21 ± 0.002 Å
• b: 14.8103 ± 0.0012 Å
• c: 11.4882 ± 0.0009 Å
• α: 90°
• β: 113.779 ± 0.002°
• γ: 90°
• Cell volume: 3613.8 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.1748
• Residual factor for significantly intense reflections: 0.0801
• Weighted residual factors for significantly intense reflections: 0.1251
• Weighted residual factors for all reflections included in the refinement: 0.1621
• Goodness-of-fit parameter for all reflections included in the refinement: 0.839
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No