Information card for entry 4309634

Structure parameters

• Common name: 04300
• Chemical name: (PhMe)LiPr2CuO2
• Formula: C32 H41 Cu N2 O2
• Calculated formula: C32 H41 Cu N2 O2
• SMILES: [Cu]12(N(c3ccccc3C(=[N]1c1c(cccc1C(C)C)C(C)C)C)c1c(cccc1C(C)C)C(C)C)OO2
• Title of publication: Characterization of a 1:1 Cu-O2 Adduct Supported by an Anilido Imine Ligand
• Authors of publication: Anne M. Reynolds; Benjamin F. Gherman; Christopher J. Cramer; William B. Tolman
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 6989 - 6997
• a: 36.846 ± 0.006 Å
• b: 9.2961 ± 0.0014 Å
• c: 24.176 ± 0.004 Å
• α: 90°
• β: 125.372 ± 0.002°
• γ: 90°
• Cell volume: 6752.3 ± 1.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0768
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.1014
• Weighted residual factors for all reflections included in the refinement: 0.1102
• Goodness-of-fit parameter for all reflections included in the refinement: 0.973
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No