Information card for entry 7132431

Structure parameters

• Formula: C75.45 H48.2 Al B F31 N2
• Calculated formula: C75.45 H48.2 Al B F31 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: 18.2366 ± 0.0007 Å
• b: 12.6216 ± 0.0004 Å
• c: 30.5952 ± 0.0012 Å
• α: 90°
• β: 94.208 ± 0.002°
• γ: 90°
• Cell volume: 7023.3 ± 0.4 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0693
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1437
• Weighted residual factors for all reflections included in the refinement: 0.1556
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No