Information card for entry 4314673

Structure parameters

• Common name: bis(bis((8-benzyloxyquinolin-2-yl)methylene)-R,R-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: [Cu]12345[N]([C@H]6[C@@H](CCCC6)[N]6[Cu]789([n]%10c(C=6)ccc6cccc(c%106)[O]8Cc6ccccc6)[N]([C@H]6[C@@H](CCCC6)[N]2=Cc2ccc6cccc(c6[n]32)[O]5Cc2ccccc2)=Cc2ccc3cccc(c3[n]72)[O]9Cc2ccccc2)=Cc2ccc3cccc(c3[n]12)[O]4Cc1ccccc1.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F
• 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: 13.3549 ± 0.0019 Å
• b: 24.72 ± 0.004 Å
• c: 25.529 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8428 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1127
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.1196
• Weighted residual factors for all reflections included in the refinement: 0.1434
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No