Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4064268
Preview
Coordinates | 4064268.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C37 H44 Cl3 Li O3 P2 S2 U |
---|---|
Calculated formula | C37 H44 Cl3 Li O3 P2 S2 U |
SMILES | [U]123([Cl][Li]([Cl]1)([O]1CCCC1)[O]1CCCC1)(Cl)([S]=P(C3=P(S2)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[O]1CCCC1 |
Title of publication | Uranium(IV) Nucleophilic Carbene Complexes |
Authors of publication | Tourneux, Jean-Christophe; Berthet, Jean-Claude; Cantat, Thibault; Thuéry, Pierre; Mézailles, Nicolas; Le Floch, Pascal; Ephritikhine, Michel |
Journal of publication | Organometallics |
Year of publication | 2011 |
Journal volume | 30 |
Journal issue | 11 |
Pages of publication | 2957 |
a | 36.441 ± 0.003 Å |
b | 19.0149 ± 0.0008 Å |
c | 11.6868 ± 0.0009 Å |
α | 90° |
β | 92.213 ± 0.004° |
γ | 90° |
Cell volume | 8092 ± 1 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 8 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1303 |
Residual factor for significantly intense reflections | 0.0835 |
Weighted residual factors for significantly intense reflections | 0.2119 |
Weighted residual factors for all reflections included in the refinement | 0.2304 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4064268.html
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.