Information card for entry 7713046

Structure parameters

• Formula: C51 H74 F34 K2 N2 O15 P2
• Calculated formula: C51 H74 F34 K2 N2 O15 P2
• SMILES: [K]1234567([F][P](F)(N8C=CN([P](C(F)(F)C(F)(F)F)(F)([F]1)(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F)C=78)(C(F)(F)C(F)(F)F)(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F)[O]1CC[O]5CC[O]3CC[O]2CC[O]4CC[O]6CC1.[O]12[K]3456([O]7CCCC7)([O](CC[O]4CC[O]3CC[O]5CC[O]6CC1)CC2)[O]1CCCC1.O1CCCC1
• 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: 38.1996 ± 0.0003 Å
• b: 11.612 ± 0.0001 Å
• c: 16.1595 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7167.93 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0371
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0791
• Weighted residual factors for all reflections included in the refinement: 0.0798
• Goodness-of-fit parameter for all reflections included in the refinement: 1.168
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No