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Information card for entry 1550061
Preview
Coordinates | 1550061.cif |
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Original paper (by DOI) | HTML |
Formula | C54 H84 N4 O2 Zn |
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Calculated formula | C54 H84 N4 O2 Zn |
SMILES | [Zn]1234(Oc5c(cc(cc5C=[N]1CC[NH]2C)C(C)(C)C)C12CC5CC(C1)CC(C2)C5)Oc1c(cc(cc1C12CC5CC(C1)CC(C2)C5)C(C)(C)C)C=[N]3CC[NH]4C.CCCCCC |
Title of publication | Highly active Mg(ii) and Zn(ii) complexes for the ring opening polymerisation of lactide |
Authors of publication | McKeown, Paul; McCormick, Strachan N.; Mahon, Mary F.; Jones, Matthew D. |
Journal of publication | Polymer Chemistry |
Year of publication | 2018 |
Journal volume | 9 |
Journal issue | 44 |
Pages of publication | 5339 |
a | 13.4614 ± 0.0007 Å |
b | 11.975 ± 0.0007 Å |
c | 31.039 ± 0.0013 Å |
α | 90° |
β | 90.965 ± 0.004° |
γ | 90° |
Cell volume | 5002.8 ± 0.4 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 0.1 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0822 |
Residual factor for significantly intense reflections | 0.0501 |
Weighted residual factors for significantly intense reflections | 0.1137 |
Weighted residual factors for all reflections included in the refinement | 0.1271 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1550061.html
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