Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2020541
Preview
| Coordinates | 2020541.cif |
|---|---|
| Structure factors | 2020541.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Common name | tris(triphenylacetato)-tetrakis(methanol)-europium methanol disolvate |
|---|---|
| Chemical name | Tetrakis(methanol-κ<i>O</i>)tris(2,2,2-triphenylacetato)-κ^4^<i>O</i>:<i>O</i>';κ<i>O</i>-europium(III) methanol disolvate |
| Formula | C66 H69 Eu O12 |
| Calculated formula | C66 H69 Eu O12 |
| SMILES | [Eu]12([O]=C(O1)C(c1ccccc1)(c1ccccc1)c1ccccc1)([O]=C(O2)C(c1ccccc1)(c1ccccc1)c1ccccc1)(OC(=O)C(c1ccccc1)(c1ccccc1)c1ccccc1)([OH]C)([OH]C)([OH]C)[OH]C.OC.OC |
| Title of publication | Di- and triphenylacetate complexes of yttrium and europium |
| Authors of publication | Minyaev, Mikhail E.; Vinogradov, Alexandr A.; Roitershtein, Dmitrii M.; Lyssenko, Konstantin A.; Ananyev, Ivan V.; Nifant'ev, Ilya E. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2016 |
| Journal volume | 72 |
| Journal issue | 7 |
| Pages of publication | 578 - 584 |
| a | 13.3716 ± 0.0006 Å |
| b | 13.5971 ± 0.0006 Å |
| c | 17.7021 ± 0.0007 Å |
| α | 93.0794 ± 0.0008° |
| β | 92.9949 ± 0.0008° |
| γ | 118.475 ± 0.0007° |
| Cell volume | 2813.9 ± 0.2 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0456 |
| Residual factor for significantly intense reflections | 0.0352 |
| Weighted residual factors for significantly intense reflections | 0.0706 |
| Weighted residual factors for all reflections included in the refinement | 0.0752 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| 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. |
2020541.cif 2020541.hkl |
| 185023 | 2016-08-05 | cif/ Updating files of 2020539, 2020540, 2020541 Original log message: Adding full bibliography for 2020539--2020541.cif. |
2020541.cif 2020541.hkl |
| 183915 | 2016-06-25 | cif/ hkl/ Adding structures of 2020539, 2020540, 2020541 via cif-deposit CGI script. |
2020541.cif 2020541.hkl |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.