Information card for entry 7125890

Structure parameters

• Formula: C32 H34 Al2 F8
• Calculated formula: C32 H34 Al2 F8
• Title of publication: C-F bond activation by pentamethylcyclopentadienyl-aluminium(i): a combined experimental/computational exercise.
• Authors of publication: Kysliak, Oleksandr; Görls, Helmar; Kretschmer, Robert
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 57
• Pages of publication: 7865 - 7868
• a: 9.1825 ± 0.0004 Å
• b: 10.793 ± 0.0005 Å
• c: 14.8825 ± 0.0007 Å
• α: 90°
• β: 99.315 ± 0.003°
• γ: 90°
• Cell volume: 1455.51 ± 0.12 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 4
• 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: 0.0699
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.1262
• Weighted residual factors for all reflections included in the refinement: 0.1332
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No