Information card for entry 4302138

Structure parameters

• Formula: C27 H37 Cu N6 O2
• Calculated formula: C27 H37 Cu N6 O2
• SMILES: [Cu]1(N(N=C(N=[N]1c1c(cccc1C(C)C)C(C)C)N(=O)=O)c1c(C(C)C)cccc1C(C)C)[N]#CC
• 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: 18.4379 ± 0.0015 Å
• b: 18.0101 ± 0.0014 Å
• c: 17.182 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5705.6 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1109
• Residual factor for significantly intense reflections: 0.0674
• Weighted residual factors for significantly intense reflections: 0.1539
• Weighted residual factors for all reflections included in the refinement: 0.1881
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No