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Information card for entry 2021104
Preview
| Coordinates | 2021104.cif |
|---|---|
| Structure factors | 2021104.hkl |
| Original IUCr paper | HTML |
| 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 Å3 |
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 207536 (current) | 2018-04-30 | cif/ hkl/ Adding structures of 2021103, 2021104, 2021105 via cif-deposit CGI script. |
2021104.cif 2021104.hkl |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.