Information card for entry 7718722

Structure parameters

• Formula: C45 H47 Cu F18 N3 P
• Calculated formula: C45 H47 Cu F18 N3 P
• Title of publication: Tris(pentafluoroethyl)difluorophosphorane for fluoride abstraction and ligand exchange reactions of N-heterocyclic carbene and cyclic alkyl(amino)carbene copper(I) fluorides.
• Authors of publication: Riethmann, Melanie; Föhrenbacher, Steffen A; Luz, Christian; Ignat'ev, Nikolai V.; Finze, Maik; Radius, Udo
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 23
• Pages of publication: 9310 - 9328
• a: 12.7528 ± 0.0001 Å
• b: 21.88 ± 0.0002 Å
• c: 16.764 ± 0.0001 Å
• α: 90°
• β: 96.418 ± 0.001°
• γ: 90°
• Cell volume: 4648.36 ± 0.06 ų
• Cell temperature: 99.9 ± 0.5 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0416
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.097
• Weighted residual factors for all reflections included in the refinement: 0.0996
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No