Information card for entry 4302137

Structure parameters

• Common name: 08215
• Formula: C42 H40 Cu2 F12 N4 O2
• Calculated formula: C42 H40 Cu2 F12 N4 O2
• SMILES: C(C1=[N](c2c(cccc2C)C)[Cu]2(N(C(=C1)C(F)(F)F)c1c(cccc1C)C)[OH][Cu]1(N(C(=CC(=[N]1c1c(cccc1C)C)C(F)(F)F)C(F)(F)F)c1c(cccc1C)C)[OH]2)(F)(F)F
• Title of publication: Effects of Electron-Deficient β-Diketiminate and Formazan Supporting Ligands on Copper(I)-Mediated Dioxygen Activation
• Authors of publication: Sungjun Hong; Lyndal M. R. Hill; Aalo K. Gupta; Benjamin D. Naab; Joe B. Gilroy; Robin G. Hicks; Christopher J. Cramer; William B. Tolman
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 4514 - 4523
• a: 12.5411 ± 0.0014 Å
• b: 17.913 ± 0.002 Å
• c: 19.003 ± 0.002 Å
• α: 90°
• β: 99.3 ± 0.002°
• γ: 90°
• Cell volume: 4212.9 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.05
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0654
• Weighted residual factors for all reflections included in the refinement: 0.0753
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No