Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1560754
Preview
| Coordinates | 1560754.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C93 H116 Dy K N4 O7 P4 Si4 |
|---|---|
| Calculated formula | C93 H116 Dy K N4 O7 P4 Si4 |
| SMILES | [Dy]1234([N](=P(C3=P(N1[Si](C)(C)C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[Si](C)(C)C)[N](=P(C4=P(N2[Si](C)(C)C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[Si](C)(C)C.[K]12345([O]6c9ccccc9[O]1CC[O]2CC[O]3c1ccccc1[O]4CC[O]5CC6)([O]1CCCC1).c1cccc(c1)C |
| 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 | 13.23949 ± 0.00014 Å |
| b | 23.5137 ± 0.0003 Å |
| c | 30.0645 ± 0.0004 Å |
| α | 90° |
| β | 97.5329 ± 0.0011° |
| γ | 90° |
| Cell volume | 9278.6 ± 0.2 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 8 |
| 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 | 0.0523 |
| Residual factor for significantly intense reflections | 0.0484 |
| Weighted residual factors for significantly intense reflections | 0.1279 |
| Weighted residual factors for all reflections included in the refinement | 0.1329 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| 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 |
|---|---|---|---|
| 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. |
1560754.cif |
| 262365 | 2021-03-03 | cif/ Adding structures of 1560749, 1560750, 1560751, 1560752, 1560753, 1560754, 1560755, 1560756, 1560757, 1560758 via cif-deposit CGI script. |
1560754.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.