Information card for entry 7718712

Structure parameters

• Formula: C81 H93 Cl3 Cu2 F36 N8 P2
• Calculated formula: C81 H93 Cl3 Cu2 F36 N8 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: 11.3315 ± 0.0001 Å
• b: 19.5059 ± 0.0002 Å
• c: 23.4078 ± 0.0003 Å
• α: 102.608 ± 0.001°
• β: 99.061 ± 0.001°
• γ: 102.377 ± 0.001°
• Cell volume: 4817.17 ± 0.1 ų
• Cell temperature: 100.01 ± 0.1 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: 0.0584
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.1519
• Weighted residual factors for all reflections included in the refinement: 0.1571
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No