Information card for entry 2021103

Structure parameters

• Common name: Magnesium bis(4-methyl-2,6-di(tert-butyl)phenoxide) bis(tetrahydrofuranate)
• Chemical name: Bis(2,6-di-<i>tert</i>-butyl-4-methylphenolato-κ<i>O</i>)bis(tetrahydrofuran-κ<i>O</i>)magnesium
• Formula: C38 H62 Mg O4
• Calculated formula: C38 H62 Mg O4
• 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: 16.847 ± 0.003 Å
• b: 15.6786 ± 0.0018 Å
• c: 21.787 ± 0.002 Å
• α: 90°
• β: 106.954 ± 0.004°
• γ: 90°
• Cell volume: 5504.7 ± 1.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0783
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1059
• Weighted residual factors for all reflections included in the refinement: 0.1216
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes