Information card for entry 1566795
| Formula |
C155 H119 Er2 N16 O21 Pr |
| Calculated formula |
C150 H114 Er2 N15 O21 Pr |
| Title of publication |
Unparalleled selectivity and electronic structure of heterometallic [LnLn’Ln] molecules as 3-qubit quantum gates |
| Authors of publication |
Aromi, Guillem; Maniaki, Diamantoula; Garay-Ruiz, Diego; Barrios, Leoní A.; Aguilà, David; Reta, Daniel; Roubeau, Olivier; Bo, Carles; Tuna, Floriana; Martins, Daniel O. T. A. |
| Journal of publication |
Chemical Science |
| Year of publication |
2022 |
| a |
16.3636 ± 0.0001 Å |
| b |
19.5224 ± 0.0001 Å |
| c |
23.3873 ± 0.0001 Å |
| α |
108.669 ± 0.001° |
| β |
108.321 ± 0.001° |
| γ |
92.112 ± 0.001° |
| Cell volume |
6640.37 ± 0.09 Å3 |
| Cell temperature |
100 ± 2 K |
| Ambient diffraction temperature |
100 ± 2 K |
| Number of distinct elements |
6 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0645 |
| Residual factor for significantly intense reflections |
0.0562 |
| Weighted residual factors for significantly intense reflections |
0.1733 |
| Weighted residual factors for all reflections included in the refinement |
0.18 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.118 |
| Diffraction radiation wavelength |
0.72932 Å |
| Diffraction radiation type |
synchrotron |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
No |
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https://www.crystallography.net/1566795.html
