Information card for entry 4130147

Structure parameters

• Common name: [Cu2(Ph)DPFN](NTf2),2.5(C6H5F)
• Formula: C53 H37.5 Cu2 F10.5 N7 O4 S2
• Calculated formula: C53 H37.5 Cu2 F10.5 N7 O4 S2
• 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: 23.1071 ± 0.0015 Å
• b: 19.4719 ± 0.0013 Å
• c: 22.4403 ± 0.0014 Å
• α: 90°
• β: 91.37 ± 0.003°
• γ: 90°
• Cell volume: 10093.9 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0429
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0874
• Weighted residual factors for all reflections included in the refinement: 0.0929
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No