Information card for entry 7132430

Structure parameters

• Formula: C77 H52 Al B F30 N2
• Calculated formula: C77 H52 Al B F30 N2
• 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: 12.8701 ± 0.0005 Å
• b: 14.0245 ± 0.0006 Å
• c: 21.8859 ± 0.0009 Å
• α: 75.193 ± 0.002°
• β: 78.87 ± 0.002°
• γ: 70.815 ± 0.002°
• Cell volume: 3581.2 ± 0.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0719
• Residual factor for significantly intense reflections: 0.0642
• Weighted residual factors for significantly intense reflections: 0.1643
• Weighted residual factors for all reflections included in the refinement: 0.1694
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No