Information card for entry 2021104

Structure parameters

• Chemical name: Bis(2,6-di-<i>tert</i>-butyl-4-methylphenolato-κ<i>O</i>)bis(μ~2~-ethyl glycolato-κ^2^<i>O</i>,<i>O</i>':κ<i>O</i>)dimethyldialuminium
• Formula: C40 H66 Al2 O8
• Calculated formula: C40 H66 Al2 O8
• Title of publication: Phenoxide and alkoxide complexes of Mg, Al and Zn, and their use for the ring-opening polymerization of ε-caprolactone with initiators of different natures
• Authors of publication: Minyaev, Mikhail E.; Nifant'ev, Ilya E.; Shlyakhtin, Andrey V.; Ivchenko, Pavel V.; Lyssenko, Konstantin A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 5
• Pages of publication: 548 - 557
• a: 27.7603 ± 0.0018 Å
• b: 9.0454 ± 0.0006 Å
• c: 18.4921 ± 0.0013 Å
• α: 90°
• β: 118.401 ± 0.002°
• γ: 90°
• Cell volume: 4084.5 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0678
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.0974
• Weighted residual factors for all reflections included in the refinement: 0.1092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes