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Information card for entry 4064274
Preview
Coordinates | 4064274.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C45 H50 P2 S2 U |
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Calculated formula | C45 H50 P2 S2 U |
SMILES | [U]123456789%10([S]=P(C=2P(=[S]1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)([c]1([c]3([c]4([c]5([c]61C)C)C)C)C)[c]1([c]7([c]8([c]9([c]%101C)C)C)C)C |
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 | 17.6971 ± 0.0012 Å |
b | 12.2271 ± 0.0009 Å |
c | 19.7485 ± 0.0009 Å |
α | 90° |
β | 109.576 ± 0.004° |
γ | 90° |
Cell volume | 4026.3 ± 0.5 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0552 |
Residual factor for significantly intense reflections | 0.0334 |
Weighted residual factors for significantly intense reflections | 0.0617 |
Weighted residual factors for all reflections included in the refinement | 0.0659 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.975 |
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/4064274.html
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Users of the data should acknowledge the original authors of the
structural data.