Information card for entry 4130143

Structure parameters

• Common name: [Cu2(NCCH3)DPFN](PF6)2,2.5(C6H5NO2)
• Formula: C47 H35.5 Cu2 F14 N9.5 O5 P2
• Calculated formula: C47.078 H35.565 Cu2 F14 N9.487 O4.974 P2
• 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: 10.2462 ± 0.0004 Å
• b: 21.4566 ± 0.0009 Å
• c: 22.8408 ± 0.0009 Å
• α: 90°
• β: 96.132 ± 0.002°
• γ: 90°
• Cell volume: 4992.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0419
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0935
• Weighted residual factors for all reflections included in the refinement: 0.0981
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No