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Information card for entry 4074442
Preview
Coordinates | 4074442.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C34 H48 F6 N6 O6 S2 U |
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Calculated formula | C34 H48 F6 N6 O6 S2 U |
SMILES | [U]12345678([c]9([c]1([c]2(C)[c]3([c]49C)C)C)C)([c]1([c]5([c]6(C)[c]7([c]81C)C)C)C)([N]#CC)([N]#CC)([N]#CC)([N]#CC)[N]#CC.FC(F)(F)S(=O)(=O)[O-].N#CC.FC(F)(F)S(=O)(=O)[O-] |
Title of publication | From Bent to Linear Uranium Metallocenes: Influence of Counterion, Solvent, and Metal Ion Oxidation State |
Authors of publication | Maynadié, Jérôme; Berthet, Jean-Claude; Thuéry, Pierre; Ephritikhine, Michel |
Journal of publication | Organometallics |
Year of publication | 2006 |
Journal volume | 25 |
Journal issue | 23 |
Pages of publication | 5603 - 5611 |
a | 22.8466 ± 0.001 Å |
b | 20.4868 ± 0.0009 Å |
c | 9.2103 ± 0.0003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4310.9 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
Space group number | 62 |
Hermann-Mauguin space group symbol | P n m a |
Hall space group symbol | -P 2ac 2n |
Residual factor for all reflections | 0.0608 |
Residual factor for significantly intense reflections | 0.055 |
Weighted residual factors for significantly intense reflections | 0.1371 |
Weighted residual factors for all reflections included in the refinement | 0.1393 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.181 |
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/4074442.html
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Users of the data should acknowledge the original authors of the
structural data.