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Information card for entry 2021105
Preview
| Coordinates | 2021105.cif |
|---|---|
| Structure factors | 2021105.hkl |
| Original IUCr paper | HTML |
| Chemical name | Octakis(μ~3~-benzyloxo-κ<i>O</i>:κ<i>O</i>:κ<i>O</i>)hexaethylheptazinc |
|---|---|
| Formula | C68 H86 O8 Zn7 |
| Calculated formula | C68 H86 O8 Zn7 |
| 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 | 13.9163 ± 0.0005 Å |
| b | 20.4248 ± 0.0007 Å |
| c | 23.0316 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 6546.4 ± 0.4 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0334 |
| Residual factor for significantly intense reflections | 0.0239 |
| Weighted residual factors for significantly intense reflections | 0.0517 |
| Weighted residual factors for all reflections included in the refinement | 0.0548 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| 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. |
2021105.cif 2021105.hkl |
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Users of the data should acknowledge the original authors of the
structural data.