Information card for entry 4314675

Structure parameters

• Common name: bis((8-benzyloxyquinolin-2-yl)methylene)-R,R-1,2-cyclohexanediamine- bis((8-benzyloxyquinolin-2-yl)methylene)-S,S-1,2-cyclohexanediamine -di-copper(I) diperchlorate diethylether
• Formula: C88 H92 Cl2 Cu2 N8 O14
• Calculated formula: C88 H92 Cl2 Cu2 N8 O14
• SMILES: [C@@H]12[C@H](CCCC1)[N]1=Cc3[n](c4c(cc3)cccc4OCc3ccccc3)[Cu]31[N]([C@H]1[C@H]([N]4[Cu]5([N]2=Cc2ccc6cccc(OCc7ccccc7)c6[n]52)[n]2c5c(cccc5OCc5ccccc5)ccc2C=4)CCCC1)=Cc1ccc2cccc(OCc4ccccc4)c2[n]31.[O-]Cl(=O)(=O)=O.O(CC)CC.[O-]Cl(=O)(=O)=O.O(CC)CC
• 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: 10.568 ± 0.006 Å
• b: 13.53 ± 0.006 Å
• c: 15.543 ± 0.006 Å
• α: 93.88 ± 0.04°
• β: 100.55 ± 0.05°
• γ: 108.2 ± 0.05°
• Cell volume: 2056.9 ± 1.9 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: 0.1504
• Residual factor for significantly intense reflections: 0.0705
• Weighted residual factors for significantly intense reflections: 0.1585
• Weighted residual factors for all reflections included in the refinement: 0.1927
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No