Information card for entry 4126246

Structure parameters

• Chemical name: [iPr2NNF6]Cu-OtBu
• Formula: C33 H44 Cu F6 N2 O
• Calculated formula: C33 H44 Cu F6 N2 O
• Title of publication: Three-Coordinate Copper(II) Aryls: Key Intermediates in C-O Bond Formation.
• Authors of publication: Kundu, Subrata; Greene, Christine; Williams, Kamille D.; Salvador, Tolani K.; Bertke, Jeffery A.; Cundari, Thomas R.; Warren, Timothy H.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 27
• Pages of publication: 9112 - 9115
• a: 11.5773 ± 0.0011 Å
• b: 19.2314 ± 0.0019 Å
• c: 23.096 ± 0.002 Å
• α: 76.137 ± 0.002°
• β: 85.509 ± 0.002°
• γ: 89.792 ± 0.002°
• Cell volume: 4976.5 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0817
• Residual factor for significantly intense reflections: 0.0637
• Weighted residual factors for significantly intense reflections: 0.1577
• Weighted residual factors for all reflections included in the refinement: 0.1685
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No