Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7223967
Preview
| Coordinates | 7223967.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | Bis(acrylato-O,O')(diaqua)(dioxo)uranium(vi) |
|---|---|
| Formula | C6 H10 O8 U |
| Calculated formula | C6 H10 O8 U |
| SMILES | [U]12(=O)(OC(=[O]2)C=C)(OC(=[O]1)C=C)(=O)([OH2])[OH2] |
| Title of publication | Structural diversity of uranyl acrylates |
| Authors of publication | Klepov, Vladislav V.; Vologzhanina, Anna V.; Alekseev, Evgeny V.; Pushkin, Denis V.; Serezhkina, Larisa B.; Sergeeva, Olga A.; Knyazev, Aleksandr V.; Serezhkin, Viktor N. |
| Journal of publication | CrystEngComm |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 10 |
| Pages of publication | 1723 |
| a | 10.7059 ± 0.001 Å |
| b | 7.7322 ± 0.0007 Å |
| c | 13.5945 ± 0.0012 Å |
| α | 90° |
| β | 107.093 ± 0.002° |
| γ | 90° |
| Cell volume | 1075.65 ± 0.17 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0763 |
| Residual factor for significantly intense reflections | 0.0226 |
| Weighted residual factors for significantly intense reflections | 0.0548 |
| Weighted residual factors for all reflections included in the refinement | 0.0855 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.997 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301865 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure. |
7223967.cif |
| 177744 | 2016-03-05 | cif/ Updating files of 7223964, 7223965, 7223966, 7223967, 7223968 Original log message: Adding full bibliography for 7223964--7223968.cif. |
7223967.cif |
| 174817 | 2016-01-23 | cif/ Adding structures of 7223964, 7223965, 7223966, 7223967, 7223968 via cif-deposit CGI script. |
7223967.cif |
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.