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Information card for entry 1540565
Preview
| Coordinates | 1540565.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C90 H132 K N4 O10 P4 Si4 Y |
|---|---|
| Calculated formula | C90 H132 K N4 O10 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(C4=P(N2[Si](C)(C)C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[Si](C)(C)C.[K]12345([O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6)([O]1CCCC1)[O]1CCCC1.O1CCCC1.O1CCCC1 |
| 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 | 15.1169 ± 0.0005 Å |
| b | 15.282 ± 0.0005 Å |
| c | 21.1716 ± 0.0005 Å |
| α | 98.667 ± 0.002° |
| β | 94.975 ± 0.002° |
| γ | 93.716 ± 0.003° |
| Cell volume | 4801.8 ± 0.3 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 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 | 0.086 |
| Residual factor for significantly intense reflections | 0.0734 |
| Weighted residual factors for significantly intense reflections | 0.1877 |
| Weighted residual factors for all reflections included in the refinement | 0.2045 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
1540565.cif |
| 170486 | 2015-11-24 | cif/ Adding structures of 1540562, 1540563, 1540564, 1540565, 1540566 via cif-deposit CGI script. |
1540565.cif |
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Users of the data should acknowledge the original authors of the
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