Information card for entry 4104587

Structure parameters

• Common name: [tBu3PH][PhCCAl(C6F5)3]
• Formula: C41 H34.25 Al Cl0.5 F15 P
• Calculated formula: C41 H33 Al Cl0.5 F15 P
• Title of publication: Terminal Alkyne Activation by Frustrated and Classical Lewis Acid/Phosphine Pairs
• Authors of publication: Meghan A. Dureen; Douglas W. Stephan
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 8396 - 8397
• a: 12.5867 ± 0.0004 Å
• b: 16.6533 ± 0.0005 Å
• c: 19.4595 ± 0.0006 Å
• α: 90°
• β: 100.549 ± 0.001°
• γ: 90°
• Cell volume: 4010 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0645
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.097
• Weighted residual factors for all reflections included in the refinement: 0.1079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No