Information card for entry 4350089
| Formula |
C18 H20 B2 N13 O3 Yb |
| Calculated formula |
C18 H20 B2 N13 O3 Yb |
| SMILES |
[Yb]12345(ON(=[O]1)=O)([n]1n(ccc1)[BH](n1[n]2ccc1)n1[n]3ccc1)[n]1n(ccc1)[BH](n1[n]4ccc1)n1[n]5ccc1 |
| Title of publication |
Evidencing under-barrier phenomena in a Yb(iii) SMM: a joint luminescence/neutron diffraction/SQUID study |
| Authors of publication |
Guégan, Frédéric; Jung, Julie; Le Guennic, Boris; Riobé, François; Maury, Olivier; Gillon, Béatrice; Jacquot, Jean-François; Guyot, Yannick; Morell, Christophe; Luneau, Dominique |
| Journal of publication |
Inorganic Chemistry Frontiers |
| Year of publication |
2019 |
| Journal volume |
6 |
| Journal issue |
11 |
| Pages of publication |
3152 |
| a |
15.7662 ± 0.0004 Å |
| b |
9.1066 ± 0.0002 Å |
| c |
17.4455 ± 0.0005 Å |
| α |
90° |
| β |
104.876 ± 0.003° |
| γ |
90° |
| Cell volume |
2420.81 ± 0.11 Å3 |
| Cell temperature |
293 K |
| Ambient diffraction temperature |
293 K |
| Number of distinct elements |
6 |
| Space group number |
14 |
| Hermann-Mauguin space group symbol |
P 1 21/c 1 |
| Hall space group symbol |
-P 2ybc |
| Residual factor for all reflections |
0.0287 |
| Residual factor for significantly intense reflections |
0.0236 |
| Weighted residual factors for all reflections |
0.0264 |
| Weighted residual factors for significantly intense reflections |
0.0257 |
| Weighted residual factors for all reflections included in the refinement |
0.0257 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.0746 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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