Information card for entry 7718727

Structure parameters

• Formula: C67 H79 Cl3 Cu2 F36 N6 P2
• Calculated formula: C67 H79 Cl3 Cu2 F36 N6 P2
• 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: 12.7224 ± 0.0002 Å
• b: 16.7168 ± 0.0002 Å
• c: 21.0326 ± 0.0002 Å
• α: 98.61 ± 0.001°
• β: 107.347 ± 0.001°
• γ: 95.163 ± 0.001°
• Cell volume: 4178.42 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0981
• Residual factor for significantly intense reflections: 0.0904
• Weighted residual factors for significantly intense reflections: 0.252
• Weighted residual factors for all reflections included in the refinement: 0.2629
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No