Information card for entry 1577206

Structure parameters

• Formula: C18 Al F33 O3 Xe
• Calculated formula: C18 Al F33 O3 Xe
• Title of publication: Using Xenon Difluoride and 2 Li[Al{OC(CF3)3}4] as an Oxidant: From Organoxenonium Intermediates to (Fluoro-)Biphenyl Radical Cations
• Authors of publication: Kloiber, Konstantin; Heinzmann, Tim; Lacombe, Benoît; Thielert, Philipp; Sellin, Malte; Schwandt, Tim; Richert, Sabine; Weber, Stefan; Krossing, Ingo
• Journal of publication: Chemical Science
• Year of publication: 2026
• a: 17.857 ± 0.0018 Å
• b: 17.785 ± 0.004 Å
• c: 18.0695 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5738.6 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0231
• Residual factor for significantly intense reflections: 0.0195
• Weighted residual factors for significantly intense reflections: 0.0474
• Weighted residual factors for all reflections included in the refinement: 0.0493
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No