Information card for entry 7052163

Structure parameters

• Common name: bis(mu2-R,R-N,N'-(2-methyl-8-buthoxyquinoline)-1,2-trans-cyclohexanedi-imine) -di-copper(i) diperchlorate
• Formula: C68 H80 Cl2 Cu2 N8 O12
• Calculated formula: C68 H80 Cl2 Cu2 N8 O12
• SMILES: [C@H]12CCCC[C@H]2[N]2=Cc3ccc4c([n]3[Cu]32[N]([C@H]2[C@@H](CCCC2)[N]2[Cu]5([N]1=Cc1ccc6c([n]51)c(OCCCC)ccc6)[n]1c(C=2)ccc2c1c(OCCCC)ccc2)=Cc1ccc2c([n]31)c(OCCCC)ccc2)c(OCCCC)ccc4.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O
• Title of publication: Enhanced kinetic inertness in the electrochemical interconversion of Cu(i) double helical to Cu(ii) monomeric complexes
• Authors of publication: Pallavicini, Piersandro; Boiocchi, Massimo; Dacarro, Giacomo; Mangano, Carlo
• Journal of publication: New Journal of Chemistry
• Year of publication: 2007
• Journal volume: 31
• Journal issue: 6
• Pages of publication: 927
• a: 13.8593 ± 0.0016 Å
• b: 12.171 ± 0.0019 Å
• c: 20.914 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3527.8 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 23
• Hermann-Mauguin space group symbol: I 2 2 2
• Hall space group symbol: I 2 2
• Residual factor for all reflections: 0.1482
• Residual factor for significantly intense reflections: 0.0638
• Weighted residual factors for significantly intense reflections: 0.1369
• Weighted residual factors for all reflections included in the refinement: 0.1776
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No