Information card for entry 4126156

Structure parameters

• Common name: [Cu2((1,4-bis(4-tolyl)-1,2,3-triazolide)DPFN](NTf2)
• Formula: C48 H34 Cu2 F8 N10 O4 S2
• Calculated formula: C48 H34 Cu2 F8 N10 O4 S2
• Title of publication: Dicopper Cu(I)Cu(I) and Cu(I)Cu(II) Complexes in Copper-Catalyzed Azide-Alkyne Cycloaddition.
• Authors of publication: Ziegler, Micah S.; Lakshmi, K. V.; Tilley, T. Don
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 15
• Pages of publication: 5378 - 5386
• a: 9.801 ± 0.0002 Å
• b: 29.7197 ± 0.0007 Å
• c: 16.1655 ± 0.0004 Å
• α: 90°
• β: 95.389 ± 0.001°
• γ: 90°
• Cell volume: 4687.92 ± 0.19 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: 0.0384
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.085
• Weighted residual factors for all reflections included in the refinement: 0.0881
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No