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Information card for entry 1540563
Preview
| Coordinates | 1540563.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C62 H77 N4 P4 Si4 Y |
|---|---|
| Calculated formula | C62 H77 N4 P4 Si4 Y |
| SMILES | [Y]1234([N](=P(C3=P(N1[Si](C)(C)C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[Si](C)(C)C)[N](=P(C=4P(=[N]2[Si](C)(C)C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[Si](C)(C)C |
| Title of publication | A monometallic lanthanide bis(methanediide) single molecule magnet with a large energy barrier and complex spin relaxation behaviour |
| Authors of publication | Gregson, Matthew; Chilton, Nicholas F.; Ariciu, Ana-Maria; Tuna, Floriana; Crowe, Iain F.; Lewis, William; Blake, Alexander J.; Collison, David; McInnes, Eric J. L.; Winpenny, Richard E. P.; Liddle, Stephen T. |
| Journal of publication | Chem. Sci. |
| Year of publication | 2016 |
| Journal volume | 7 |
| Journal issue | 1 |
| Pages of publication | 155 |
| a | 31.667 ± 0.003 Å |
| b | 25.7439 ± 0.0013 Å |
| c | 20.938 ± 0.002 Å |
| α | 90° |
| β | 132.786 ± 0.016° |
| γ | 90° |
| Cell volume | 12527 ± 4 Å3 |
| Cell temperature | 90 ± 2 K |
| Ambient diffraction temperature | 90 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0683 |
| Residual factor for significantly intense reflections | 0.06 |
| Weighted residual factors for significantly intense reflections | 0.1668 |
| Weighted residual factors for all reflections included in the refinement | 0.1764 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| 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 |
|---|---|---|---|
| 175935 (current) | 2016-02-05 | cif/ Updating files of 1540562, 1540563, 1540564, 1540565, 1540566 Original log message: Adding full bibliography for 1540562--1540566.cif. |
1540563.cif |
| 170486 | 2015-11-24 | cif/ Adding structures of 1540562, 1540563, 1540564, 1540565, 1540566 via cif-deposit CGI script. |
1540563.cif |
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Users of the data should acknowledge the original authors of the
structural data.