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Information card for entry 7127569
Preview
| Coordinates | 7127569.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C92 H124 B3 N4 O6 Y |
|---|---|
| Calculated formula | C92 H124 B3 N4 O6 Y |
| Title of publication | Insights into <i>D</i><sub>4h</sub>@metal-symmetry single-molecule magnetism: the case of a dysprosium-bis(boryloxide) complex. |
| Authors of publication | Thomas-Hargreaves, Lewis R; Hunger, David; Kern, Michal; Wooles, Ashley J.; van Slageren, Joris; Chilton, Nicholas F.; Liddle, Stephen T. |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2021 |
| Journal volume | 57 |
| Journal issue | 6 |
| Pages of publication | 733 - 736 |
| a | 12.9871 ± 0.0005 Å |
| b | 27.1689 ± 0.0011 Å |
| c | 24.3048 ± 0.0011 Å |
| α | 90° |
| β | 93.672 ± 0.004° |
| γ | 90° |
| Cell volume | 8558.2 ± 0.6 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.117 |
| Residual factor for significantly intense reflections | 0.0593 |
| Weighted residual factors for significantly intense reflections | 0.0987 |
| Weighted residual factors for all reflections included in the refinement | 0.1153 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301860 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
7127569.cif |
| 261551 | 2021-02-05 | cif/ Updating files of 7127568, 7127569, 7127570, 7127571 Original log message: Adding full bibliography for 7127568--7127571.cif. |
7127569.cif |
| 259849 | 2020-12-13 | cif/ Adding structures of 7127568, 7127569, 7127570, 7127571 via cif-deposit CGI script. |
7127569.cif |
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Users of the data should acknowledge the original authors of the
structural data.