Information card for entry 7226013

Structure parameters

• Formula: C15 H8 Cu F9 N2
• Calculated formula: C15 H8 Cu F9 N2
• Title of publication: Isolation and Characterization of Copper(III) Trifluoromethyl Complexes and Reactivity Studies of Aerobic Trifluoromethylation of Arylboronic Acids
• Authors of publication: Zhang, Songlin; Bie, Wen-Feng
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 11.1138 ± 0.0009 Å
• b: 16.303 ± 0.002 Å
• c: 18.1646 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3291.2 ± 0.6 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1389
• Residual factor for significantly intense reflections: 0.09
• Weighted residual factors for significantly intense reflections: 0.2405
• Weighted residual factors for all reflections included in the refinement: 0.2713
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No