Information card for entry 4130145

Structure parameters

• Common name: [Cu2((3,5-CF3)C6H3))DPFN]BArF24,3(o-C6H4F2)
• Formula: C88 H47 B Cu2 F38 N6
• Calculated formula: C88 H47 B Cu2 F38 N6
• Title of publication: Aryl Group Transfer from Tetraarylborato Anions to an Electrophilic Dicopper(I) Center and Mixed-Valence μ-Aryl Dicopper(I,II) Complexes.
• Authors of publication: Ziegler, Micah S.; Levine, Daniel S.; Lakshmi, K. V.; Tilley, T. Don
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 20
• Pages of publication: 6484 - 6491
• a: 20.3441 ± 0.001 Å
• b: 21.4651 ± 0.0011 Å
• c: 20.4182 ± 0.001 Å
• α: 90°
• β: 112.805 ± 0.002°
• γ: 90°
• Cell volume: 8219.4 ± 0.7 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0794
• Residual factor for significantly intense reflections: 0.0644
• Weighted residual factors for significantly intense reflections: 0.1753
• Weighted residual factors for all reflections included in the refinement: 0.1907
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No