Information card for entry 7713043

Structure parameters

• Formula: C36 H42 F34 K2 N4 O4 P2
• Calculated formula: C36 H42 F34 K2 N4 O4 P2
• Title of publication: Anionic N-Heterocyclic Carbenes Featuring Weakly Coordinating Perfluoroalkylphosphorane Moieties
• Authors of publication: Zapf, Ludwig; Radius, Udo; Finze, Maik
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 12.3654 ± 0.0002 Å
• b: 15.5068 ± 0.0002 Å
• c: 13.9007 ± 0.0002 Å
• α: 90°
• β: 95.834 ± 0.001°
• γ: 90°
• Cell volume: 2651.62 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 99.98 ± 0.1 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: 0.0626
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for significantly intense reflections: 0.1345
• Weighted residual factors for all reflections included in the refinement: 0.1363
• Goodness-of-fit parameter for all reflections included in the refinement: 0.924
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No