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Information card for entry 1558888
Preview
| Coordinates | 1558888.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C160 H124 Ce Lu2 N17 O21 |
|---|---|
| Calculated formula | C160 H124 Ce Lu2 N17 O21 |
| SMILES | [Ce]123456789([O]%10[Lu]%11%13%14%15(OC(=O)c%16[n]%15c(ccc%16)C([O]1%11)=CC(=[O]2)c1cc2ccccc2cc1)([O]=C(c1cc2ccccc2cc1)C=C%10c1[n]9c(ccc1)C1[O]4[Lu]249([O]=C(C=1)c1ccc%10ccccc%10c1)([O]6C(=CC(=[O]2)c1ccc2ccccc2c1)c1[n]3c(C([O]5%14)=CC(=[O]%13)c2cc5ccccc5cc2)ccc1)(OC(=O)c1[n]4c(ccc1)C([O]79)=CC(=[O]8)c1ccc2ccccc2c1)[OH2])[OH2])[n]1ccccc1.N(=O)(=O)[O-].n1ccccc1.n1ccccc1.n1ccccc1.n1ccccc1.n1ccccc1.n1ccccc1.n1ccccc1.n1ccccc1.n1ccccc1.n1ccccc1.n1ccccc1 |
| Title of publication | A heterometallic [LnLn’Ln] lanthanide complex as a qubit with embedded quantum error correction |
| Authors of publication | Macaluso, Emilio; Rubin, Marcos; Aguilà, David; Chiesa, Alessandro; Barrios, Leoní Alejandra; Martínez, Jesús Ignacio; Alonso, Pablo Javier; Roubeau, Olivier; Luis, Fernando; Aromi, Guillem; Carretta, Stefano |
| Journal of publication | Chemical Science |
| Year of publication | 2020 |
| a | 16.4547 ± 0.0015 Å |
| b | 19.5818 ± 0.0018 Å |
| c | 23.333 ± 0.002 Å |
| α | 108.507 ± 0.005° |
| β | 108.814 ± 0.005° |
| γ | 92.156 ± 0.005° |
| Cell volume | 6665.9 ± 1.1 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 | 0.0779 |
| Residual factor for significantly intense reflections | 0.0495 |
| Weighted residual factors for significantly intense reflections | 0.1229 |
| Weighted residual factors for all reflections included in the refinement | 0.1436 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301780 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure. |
1558888.cif |
| 255504 | 2020-08-21 | cif/ Adding structures of 1558888, 1558889 via cif-deposit CGI script. |
1558888.cif |
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Users of the data should acknowledge the original authors of the
structural data.