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Information card for entry 1557412
Preview
| Coordinates | 1557412.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C46 H62 N2 O2 Zn2 |
|---|---|
| Calculated formula | C46 H62 N2 O2 Zn2 |
| SMILES | [Zn]12([O]3c4c(C=[N]([Zn]3([O]1c1c(cc(cc1C=[N]2c1ccccc1)C(C)(C)C)C(C)(C)C)CC)c1ccccc1)cc(cc4C(C)(C)C)C(C)(C)C)CC |
| Title of publication | Mono- and dimeric zinc(ii) complexes for PLA production and degradation into methyl lactate ‒ a chemical recycling method |
| Authors of publication | Payne, Jack; McKeown, Paul; Mahon, Mary F.; Emanuelsson, Emma A. C.; Jones, Matthew D. |
| Journal of publication | Polymer Chemistry |
| Year of publication | 2020 |
| Journal volume | 11 |
| Journal issue | 13 |
| Pages of publication | 2381 - 2389 |
| a | 25.1264 ± 0.0008 Å |
| b | 18.5514 ± 0.0005 Å |
| c | 18.1043 ± 0.0005 Å |
| α | 90° |
| β | 90.301 ± 0.003° |
| γ | 90° |
| Cell volume | 8438.8 ± 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/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0533 |
| Residual factor for significantly intense reflections | 0.0468 |
| Weighted residual factors for significantly intense reflections | 0.1285 |
| Weighted residual factors for all reflections included in the refinement | 0.1338 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.101 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 257943 (current) | 2020-10-06 | cif/ Updating files of 1557407, 1557408, 1557409, 1557410, 1557411, 1557412 Original log message: Adding full bibliography for 1557407--1557412.cif. |
1557412.cif |
| 250379 | 2020-04-05 | cif/ Updating files of 1557407, 1557408, 1557409, 1557410, 1557411, 1557412 Original log message: Adding full bibliography for 1557407--1557412.cif. |
1557412.cif |
| 248526 | 2020-02-28 | cif/ Adding structures of 1557407, 1557408, 1557409, 1557410, 1557411, 1557412 via cif-deposit CGI script. |
1557412.cif |
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Users of the data should acknowledge the original authors of the
structural data.