Information card for entry 1551163
| Formula |
C40 H46 N8 O14 Yb2 |
| Calculated formula |
C40 H46 N8 O14 Yb2 |
| SMILES |
COc1cccc2c1O[Yb]13456([N](=C2)CC[NH]1CC[N]3=Cc1c([O]4[Yb]23478([N](=Cc9cccc(c9O4)OC)CC[NH]2CC[N]3=Cc2c([O]67)c(OC)ccc2)ON(=[O]8)=O)c(OC)ccc1)ON(=[O]5)=O |
| Title of publication |
Exploring the dual functionality of an ytterbium complex for molecular optical thermometry and slow magnetic relaxation |
| Authors of publication |
Brunet, Gabriel; Marin, Riccardo; Monks, Melissa-Jane; Resch-Genger, Ute; Galico, Diogo Alves; Sigoli, Fernando Aparecido; Suturina, Elizaveta A.; Hemmer, Eva; Murugesu, Muralee |
| Journal of publication |
Chemical Science |
| Year of publication |
2019 |
| a |
10.4586 ± 0.0016 Å |
| b |
10.5142 ± 0.0016 Å |
| c |
11.4718 ± 0.0017 Å |
| α |
66.542 ± 0.003° |
| β |
65.408 ± 0.003° |
| γ |
79.755 ± 0.003° |
| Cell volume |
1052.1 ± 0.3 Å3 |
| Cell temperature |
200 ± 2 K |
| Ambient diffraction temperature |
200 ± 2 K |
| Number of distinct elements |
5 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0121 |
| Residual factor for significantly intense reflections |
0.0115 |
| Weighted residual factors for significantly intense reflections |
0.0297 |
| Weighted residual factors for all reflections included in the refinement |
0.0299 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.068 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/1551163.html
