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Information card for entry 2021105
Preview
Coordinates | 2021105.cif |
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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 |
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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.