Information card for entry 7712586

Structure parameters

• Formula: C60 H17 Al Cl2 F60 O4
• Calculated formula: C60 H17 Al Cl2 F60 O4
• Title of publication: The Perfluoroadamantoxy Aluminate as an Ideal Weakly Coordinating Anion? – Synthesis and first Applications.
• Authors of publication: Billion, Andreas; Schorpp, Marcel; Feser, Rebecca; Schmitt, Manuel; Eisele, Lea; Scherer, Harald; Sonoda, Takaaki; Kawa, Hajimu; Butschke, Burkhard; Krossing, Ingo
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 12.724 ± 0.009 Å
• b: 22.259 ± 0.017 Å
• c: 23.784 ± 0.018 Å
• α: 90°
• β: 101.54 ± 0.02°
• γ: 90°
• Cell volume: 6600 ± 9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0655
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1143
• Weighted residual factors for all reflections included in the refinement: 0.127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No