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Information card for entry 1560757
Preview
| Coordinates | 1560757.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C72 H84 Dy K N2 O7 P4 S4 |
|---|---|
| Calculated formula | C72 H84 Dy K N2 O7 P4 S4 |
| SMILES | [Dy]1234([S]=P(C3=P(S1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[S]=P(c1ccccc1)(c1ccccc1)C4=P(S2)(c1ccccc1)c1ccccc1.O1CCCC1.[K]1234567[O]8CC[N]96CC[O]2CC[O]3CC[N]7(CC[O]1CC8)CC[O]5CC[O]4CC9 |
| Title of publication | Correlating axial and equatorial ligand field effects to the single-molecule magnet performances of a family of dysprosium bis-methanediide complexes |
| Authors of publication | Thomas-Hargreaves, Lewis R.; Giansiracusa, Marcus J.; Gregson, Matthew; Zanda, Emanuele; O'Donnell, Felix; Wooles, Ashley J.; Chilton, Nicholas F.; Liddle, Stephen T. |
| Journal of publication | Chemical Science |
| Year of publication | 2021 |
| Journal volume | 12 |
| Journal issue | 11 |
| Pages of publication | 3911 - 3920 |
| a | 15.0677 ± 0.0003 Å |
| b | 15.8625 ± 0.0004 Å |
| c | 17.3285 ± 0.0003 Å |
| α | 97.435 ± 0.002° |
| β | 91.979 ± 0.002° |
| γ | 116.19 ± 0.002° |
| Cell volume | 3665.66 ± 0.15 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0418 |
| Residual factor for significantly intense reflections | 0.0377 |
| Weighted residual factors for significantly intense reflections | 0.1013 |
| Weighted residual factors for all reflections included in the refinement | 0.103 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
| 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 |
|---|---|---|---|
| 263703 (current) | 2021-04-05 | cif/ Updating files of 1560749, 1560750, 1560751, 1560752, 1560753, 1560754, 1560755, 1560756, 1560757, 1560758 Original log message: Adding full bibliography for 1560749--1560758.cif. |
1560757.cif |
| 262365 | 2021-03-03 | cif/ Adding structures of 1560749, 1560750, 1560751, 1560752, 1560753, 1560754, 1560755, 1560756, 1560757, 1560758 via cif-deposit CGI script. |
1560757.cif |
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Users of the data should acknowledge the original authors of the
structural data.