Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 8101574
Preview
| Coordinates | 8101574.cif |
|---|
| Formula | C48 H84 N6 O20 P2 U2 |
|---|---|
| Calculated formula | C48 N6 O20 P2 U2 |
| SMILES | [U]123(=O)(=O)([O]=P(c4ccccc4)(CCCCCCCC)CC(=[O]1)N(CC(C)C)CC(C)C)([O]=N(=O)O2)[O]=N(=O)O3 |
| Title of publication | Crystal structure of octyl(phenyl)-N,N-diisobutylcarbamoylmethylphosphine dioxouranium nitrate, C~48~H~84~N~6~O~20~P~2~U~2~ |
| Authors of publication | Cherfa, Samy; Pecaut, Jacques; Nierlich, Martine |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 1999 |
| Journal volume | 214 |
| Journal issue | 4 |
| Pages of publication | 523 - 525 |
| a | 19.7821 ± 0.0003 Å |
| b | 10.6352 ± 0.0002 Å |
| c | 31.4217 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 6610.7 ± 0.2 Å3 |
| Cell temperature | 243 ± 2 K |
| Ambient diffraction temperature | 243 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for significantly intense reflections | 0.0623 |
| Weighted residual factors for significantly intense reflections | 0.148 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
Version history is temporarily not available due to server issues.
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.