Information card for entry 4110177

Structure parameters

• Common name: [L(Me)Cu(O2CC(O)Mes)]
• Formula: C38 H43 Cu N2 O3
• Calculated formula: C38 H43 Cu N2 O3
• Title of publication: Copper(I)-α-Ketocarboxylate Complexes: Characterization and O2 Reactions That Yield Copper-Oxygen Intermediates Capable of Hydroxylating Arenes
• Authors of publication: Sungjun Hong; Stefan M. Huber; Laura Gagliardi; Christopher C. Cramer; William B. Tolman
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 14190 - 14192
• a: 8.958 ± 0.003 Å
• b: 11.008 ± 0.004 Å
• c: 19.141 ± 0.011 Å
• α: 78.74 ± 0.04°
• β: 78.76 ± 0.04°
• γ: 66.24 ± 0.04°
• Cell volume: 1680 ± 1.4 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0513
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0893
• Weighted residual factors for all reflections included in the refinement: 0.1013
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No