Information card for entry 7125892

Structure parameters

• Formula: C34 H30 Al2 F16
• Calculated formula: C34 H30 Al2 F16
• 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: 8.4379 ± 0.0002 Å
• b: 9.9671 ± 0.0003 Å
• c: 11.3803 ± 0.0003 Å
• α: 115.809 ± 0.001°
• β: 98.981 ± 0.002°
• γ: 92.895 ± 0.001°
• Cell volume: 843.48 ± 0.04 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0465
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0931
• Weighted residual factors for all reflections included in the refinement: 0.0978
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No