Information card for entry 7132429

Structure parameters

• Formula: C39 H36 Al F11 N2
• Calculated formula: C39 H36 Al F11 N2
• SMILES: [Al](F)(=C1N(c2c(C(C)C)cccc2C(C)C)C=CN1c1c(cccc1C(C)C)C(C)C)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
• Title of publication: The Lewis superacidic aluminium cation: [(NHC)Al(C₆F₅)₂]<sup/>.
• Authors of publication: Ju, Shaoying; Zhang, Chi; Tang, Beili; Liu, Liu Leo; Stephan, Douglas W.; Wu, Yile
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 6
• Pages of publication: 698 - 701
• a: 14.4808 ± 0.0011 Å
• b: 12.6637 ± 0.0009 Å
• c: 20.244 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3712.4 ± 0.5 ų
• Cell temperature: 260 K
• Ambient diffraction temperature: 260 K
• Number of distinct elements: 5
• 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: 0.068
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.1304
• Weighted residual factors for all reflections included in the refinement: 0.1391
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No