Information card for entry 7052162

Structure parameters

• Common name: bis(mu2-R,R-N,N'-(2-methyl-8-methoxyquinoline)-1,2-trans-cyclohexanedi-imine) -di-copper(i) diperchlorate
• Formula: C56 H56 Cl2 Cu2 N8 O12
• Calculated formula: C56 H56 Cl2 Cu2 N8 O12
• SMILES: [C@H]12[C@@H](CCCC1)[N]1=Cc3[n](c4c(cc3)cccc4OC)[Cu]31[N]([C@H]1[C@@H](CCCC1)[N]1[Cu]4([N]2=Cc2ccc5c([n]42)c(OC)ccc5)[n]2c(C=1)ccc1c2c(OC)ccc1)=Cc1ccc2c([n]31)c(OC)ccc2.[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: 14.1796 ± 0.0013 Å
• b: 14.1796 ± 0.0013 Å
• c: 25.007 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4354.3 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 152
• Hermann-Mauguin space group symbol: P 31 2 1
• Hall space group symbol: P 31 2"
• Residual factor for all reflections: 0.1557
• Residual factor for significantly intense reflections: 0.089
• Weighted residual factors for significantly intense reflections: 0.2429
• Weighted residual factors for all reflections included in the refinement: 0.2853
• Goodness-of-fit parameter for all reflections included in the refinement: 0.974
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No