Information card for entry 2242868

Structure parameters

• Chemical name: Bis(μ~2~-triphenylacetato-κ<i>O</i>:κ<i>O</i>')bis(diisobutylaluminium)
• Formula: C56 H66 Al2 O4
• Calculated formula: C56 H66 Al2 O4
• SMILES: [Al]1([O]=C(O[Al]([O]=C(O1)C(c1ccccc1)(c1ccccc1)c1ccccc1)(CC(C)C)CC(C)C)C(c1ccccc1)(c1ccccc1)c1ccccc1)(CC(C)C)CC(C)C
• Title of publication: Crystal structure of bis(μ~2~-triphenylacetato-κ<i>O</i>:κ<i>O</i>')bis(diisobutylaluminium)
• Authors of publication: Vinogradov, Alexander A.; Minyaev, Mikhail E.; Lyssenko, Konstantin A.; Nifant'ev, Ilya E.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 4
• Pages of publication: 456 - 459
• a: 9.2839 ± 0.0003 Å
• b: 12.0281 ± 0.0004 Å
• c: 12.5999 ± 0.0004 Å
• α: 108.79 ± 0.001°
• β: 109.143 ± 0.001°
• γ: 91.866 ± 0.001°
• Cell volume: 1243.25 ± 0.07 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0487
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0965
• Weighted residual factors for all reflections included in the refinement: 0.1047
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No