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Information card for entry 2021229
Preview
| Coordinates | 2021229.cif |
|---|---|
| Structure factors | 2021229.hkl |
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | Tris(2-{[(2-methoxyphenyl)imino]methyl}phenolato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')lanthanum |
|---|---|
| Formula | C42 H36 La N3 O6 |
| Calculated formula | C42 H36 La N3 O6 |
| SMILES | [La]1234(Oc5ccccc5C=[N]1c1ccccc1[O]2C)(Oc1ccccc1C=[N]3c1ccccc1OC)Oc1ccccc1C=[N]4c1ccccc1OC |
| Title of publication | Different coordination modes of <i>trans</i>-2-{[(2-methoxyphenyl)imino]methyl}phenoxide in rare-earth complexes: influence of the metal cation radius and the number of ligands on steric congestion and ligand coordination modes |
| Authors of publication | Roitershtein, Dmitrii M.; Minashina, Kseniya I.; Minyaev, Mikhail E.; Ananyev, Ivan V.; Lyssenko, Konstantin A.; Tavtorkin, Alexander N.; Nifant'ev, Ilya E. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2018 |
| Journal volume | 74 |
| Journal issue | 10 |
| Pages of publication | 1105 - 1115 |
| a | 8.0705 ± 0.0018 Å |
| b | 12.588 ± 0.003 Å |
| c | 19.096 ± 0.004 Å |
| α | 79.209 ± 0.005° |
| β | 86.351 ± 0.005° |
| γ | 73.384 ± 0.005° |
| Cell volume | 1826 ± 0.7 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 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 | 0.0787 |
| Residual factor for significantly intense reflections | 0.0465 |
| Weighted residual factors for significantly intense reflections | 0.0829 |
| Weighted residual factors for all reflections included in the refinement | 0.0935 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.964 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301801 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/02 Each referenced PubChem compound corresponds to the full crystal structure. |
2021229.cif 2021229.hkl |
| 211788 | 2018-11-03 | cif/ Updating files of 2021229, 2021230, 2021231, 2021232, 2021233 Original log message: Adding full bibliography for 2021229--2021233.cif. |
2021229.cif 2021229.hkl |
| 210942 | 2018-09-14 | cif/ hkl/ Adding structures of 2021229, 2021230, 2021231, 2021232, 2021233 via cif-deposit CGI script. |
2021229.cif 2021229.hkl |
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Users of the data should acknowledge the original authors of the
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