Information card for entry 7222056

Structure parameters

• Formula: C30 H24 Cl4 Cu2 N4 O4
• Calculated formula: C30 H24 Cl4 Cu2 N4 O4
• SMILES: C1Cc2c(C3=[N]1[Cu]1([n]4c3cccc4)([Cl][Cu]3([N]4CCc5cc6c(cc5C=4c4[n]3cccc4)OCO6)([Cl]1)Cl)Cl)cc1c(c2)OCO1
• Title of publication: Dihydroisoquinoline Copper(II) Complexes: Crystal Structures, Cytotoxicity, and Their Action Mechanism
• Authors of publication: Huang, Ke-Bin; Chen, Zhen-Feng; Liu, Yan-Cheng; Xie, Xiao-Li; Liang, Hong
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 7.6582 ± 0.0003 Å
• b: 8.8071 ± 0.0004 Å
• c: 11.4566 ± 0.0008 Å
• α: 97.269 ± 0.005°
• β: 101.942 ± 0.005°
• γ: 108.179 ± 0.004°
• Cell volume: 702.91 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0409
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0872
• Weighted residual factors for all reflections included in the refinement: 0.0922
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No