Information card for entry 4314674

Structure parameters

• Common name: bis(bis((8-benzyloxyquinolin-2-yl)methylene)-rac-1,2-cyclohexanediamine) -di-copper(II) tetratriflate
• Formula: C84 H72 Cu2 F12 N8 O16 S4
• Calculated formula: C84 H72 Cu2 F12 N8 O16 S4
• SMILES: [C@H]12CCCC[C@H]2[N]2=Cc3ccc4cccc5[O]([Cu]672([N]([C@@H]2CCCC[C@H]2[N]2[Cu]89%10([N]1=Cc1ccc%11cccc([O]9Cc9ccccc9)c%11[n]81)[n]1c(C=2)ccc2cccc([O]%10Cc8ccccc8)c12)=Cc1ccc2cccc([O]7Cc7ccccc7)c2[n]61)[n]3c45)Cc1ccccc1.FC(F)(F)S(=O)(=O)[O-].FC(F)(F)S(=O)(=O)[O-].FC(F)(F)S(=O)(=O)[O-].FC(F)(F)S(=O)(=O)[O-].[C@@H]12CCCC[C@@H]2[N]2=Cc3ccc4cccc5[O]([Cu]672([N]([C@H]2CCCC[C@@H]2[N]2[Cu]89%10([N]1=Cc1ccc%11cccc([O]9Cc9ccccc9)c%11[n]81)[n]1c(C=2)ccc2cccc([O]%10Cc8ccccc8)c12)=Cc1ccc2cccc([O]7Cc7ccccc7)c2[n]61)[n]3c45)Cc1ccccc1.FC(F)(F)S(=O)(=O)[O-].FC(F)(F)S(=O)(=O)[O-].FC(F)(F)S(=O)(=O)[O-].FC(F)(F)S(=O)(=O)[O-]
• Title of publication: Octahedral Copper(II) and Tetrahedral Copper(I) Double-Strand Helicates: Chiral Self-Recognition and Redox Behavior
• Authors of publication: Valeria Amendola; Massimo Boiocchi; Valentina Brega; Luigi Fabbrizzi; Lorenzo Mosca
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 997 - 1007
• a: 25.9858 ± 0.0017 Å
• b: 34.018 ± 0.002 Å
• c: 38.21 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 33777 ± 4 ų
• Cell temperature: 571 ± 2 K
• Ambient diffraction temperature: 571 ± 2 K
• Number of distinct elements: 7
• Space group number: 70
• Hermann-Mauguin space group symbol: F d d d :2
• Hall space group symbol: -F 2uv 2vw
• Residual factor for all reflections: 0.1117
• Residual factor for significantly intense reflections: 0.0643
• Weighted residual factors for significantly intense reflections: 0.1576
• Weighted residual factors for all reflections included in the refinement: 0.1953
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No