Information card for entry 4110181

Structure parameters

• Common name: [(N2-XY)Cu(OTf)]
• Formula: C28 H32 Cu F3 N2 O3 S
• Calculated formula: C28 H32 Cu F3 N2 O3 S
• 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: 13.4571 ± 0.0011 Å
• b: 13.8773 ± 0.001 Å
• c: 15.433 ± 0.0012 Å
• α: 90°
• β: 99.702 ± 0.002°
• γ: 90°
• Cell volume: 2840.9 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0567
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.1118
• Weighted residual factors for all reflections included in the refinement: 0.1157
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No