Information card for entry 4122323

Structure parameters

• Common name: [Cl2NN]Cu-NHArF6
• Formula: C25 H17 Cl4 Cu F6 N3
• Calculated formula: C25 H17 Cl4 Cu F6 N3
• Title of publication: Copper(II) Anilides in sp(3) C-H Amination.
• Authors of publication: Jang, Eun Sil; McMullin, Claire L.; Käß, Martina; Meyer, Karsten; Cundari, Thomas R.; Warren, Timothy H.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 31
• Pages of publication: 10930 - 10940
• a: 12.826 ± 0.006 Å
• b: 11.594 ± 0.005 Å
• c: 17.588 ± 0.008 Å
• α: 90°
• β: 94.677 ± 0.006°
• γ: 90°
• Cell volume: 2607 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0372
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.0741
• Weighted residual factors for all reflections included in the refinement: 0.0766
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No