Information card for entry 7125889

Structure parameters

• Formula: C32 H32 Al2 F10
• Calculated formula: C32 H32 Al2 F10
• 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: 9.1602 ± 0.0002 Å
• b: 21.937 ± 0.0007 Å
• c: 14.8657 ± 0.0005 Å
• α: 90°
• β: 97.288 ± 0.002°
• γ: 90°
• Cell volume: 2963.09 ± 0.15 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: 0.1261
• Residual factor for significantly intense reflections: 0.0764
• Weighted residual factors for significantly intense reflections: 0.1271
• Weighted residual factors for all reflections included in the refinement: 0.1414
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No