Information card for entry 4084520

Structure parameters

• Formula: C60 H78 Al2
• Calculated formula: C60 H78 Al2
• SMILES: c1(c(cccc1c1c(C(C)C)cccc1C(C)C)c1c(cccc1C(C)C)C(C)C)[AlH]1[H][AlH](c2c(cccc2c2c(cccc2C(C)C)C(C)C)c2c(cccc2C(C)C)C(C)C)[H]1
• Title of publication: Hydroalumination of Alkenes and Alkynes by Primary Aluminum Hydrides under Mild Conditions
• Authors of publication: Fettinger, James C.; Gray, Paul A.; Melton, Christopher E.; Power, Philip P.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 21
• Pages of publication: 6232
• a: 9.3526 ± 0.0005 Å
• b: 12.7727 ± 0.0006 Å
• c: 12.9546 ± 0.0006 Å
• α: 110.296 ± 0.0014°
• β: 98.1894 ± 0.0016°
• γ: 111.323 ± 0.0017°
• Cell volume: 1286.63 ± 0.11 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0393
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.1062
• Weighted residual factors for all reflections included in the refinement: 0.1066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No