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Information card for entry 1560088
Preview
| Coordinates | 1560088.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C30 H36 Cl2 Mg N2 O2 |
|---|---|
| Calculated formula | C30 H36 Cl2 Mg N2 O2 |
| Title of publication | Make or break: Mg(ii)- and Zn(ii)-catalen complexes for PLA production and recycling of commodity polyesters |
| Authors of publication | Payne, Jack; McKeown, Paul; Driscoll, Oliver; Kociok-Köhn, Gabriele; Emanuelsson, Emma A. C.; Jones, Matthew D. |
| Journal of publication | Polymer Chemistry |
| Year of publication | 2021 |
| Journal volume | 12 |
| Journal issue | 8 |
| Pages of publication | 1086 - 1096 |
| a | 9.9229 ± 0.0004 Å |
| b | 14.2743 ± 0.0005 Å |
| c | 20.5348 ± 0.0005 Å |
| α | 90° |
| β | 95.319 ± 0.003° |
| γ | 90° |
| Cell volume | 2896.08 ± 0.17 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 0.3 K |
| Number of distinct elements | 6 |
| 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 | 0.0709 |
| Residual factor for significantly intense reflections | 0.0524 |
| Weighted residual factors for significantly intense reflections | 0.1352 |
| Weighted residual factors for all reflections included in the refinement | 0.1483 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301787 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/56 Each referenced PubChem compound corresponds to the full crystal structure. |
1560088.cif |
| 262728 | 2021-03-05 | cif/ Updating files of 1560087, 1560088, 1560089, 1560090, 1560091, 1560092, 1560093 Original log message: Adding full bibliography for 1560087--1560093.cif. |
1560088.cif |
| 260948 | 2021-01-14 | cif/ Adding structures of 1560087, 1560088, 1560089, 1560090, 1560091, 1560092, 1560093 via cif-deposit CGI script. |
1560088.cif |
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Users of the data should acknowledge the original authors of the
structural data.