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Information card for entry 4106051
Preview
Coordinates | 4106051.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C54 H50 O3 P4 S4 U |
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Calculated formula | C54 H50 O3 P4 S4 U |
SMILES | [U]123([S]=P(C3P(=[S]1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)([S]=P(C=P(S2)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(=O)=O.O1CCCC1 |
Title of publication | Exploring the Uranyl Organometallic Chemistry: From Single to Double Uranium-Carbon Bonds |
Authors of publication | Jean-Christophe Tourneux; Jean-Claude Berthet; Thibault Cantat; Pierre Thuéry; Nicolas Mézailles; Michel Ephritikhine |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2011 |
Journal volume | 133 |
Pages of publication | 6162 - 6165 |
a | 10.9228 ± 0.0004 Å |
b | 25.5141 ± 0.0005 Å |
c | 18.4246 ± 0.0007 Å |
α | 90° |
β | 99.343 ± 0.002° |
γ | 90° |
Cell volume | 5066.6 ± 0.3 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 6 |
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 | 0.041 |
Residual factor for significantly intense reflections | 0.0276 |
Weighted residual factors for significantly intense reflections | 0.0532 |
Weighted residual factors for all reflections included in the refinement | 0.0558 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
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/4106051.html
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Users of the data should acknowledge the original authors of the
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