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Information card for entry 4108790
Preview
Coordinates | 4108790.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C84 H92 K2 O24 U2 |
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Calculated formula | C84 H92 K2 O24 U2 |
SMILES | [U]1234(=[O][K]56789([O]%10CC[O]8CC[O]7CC[O]6CC[O]5CC[O]9CC%10)[O]2C(=CC(=[O]3)c2ccccc2)c2ccccc2)(OC(=CC(=[O]1)c1ccccc1)c1ccccc1)=[O][U]123(=[O]4)(=[O][K]45678([O]9CC[O]8CC[O]7CC[O]6CC[O]5CC[O]4CC9)[O]2C(=CC(=[O]3)c2ccccc2)c2ccccc2)OC(=CC(=[O]1)c1ccccc1)c1ccccc1 |
Title of publication | Polynuclear Cation-Cation Complexes of Pentavalent Uranyl: Relating Stability and Magnetic Properties to Structure |
Authors of publication | Grégory Nocton; Pawel Horeglad; Jacques Pécaut; Marinella Mazzanti |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2008 |
Journal volume | 130 |
Pages of publication | 16633 - 16645 |
a | 12.657 ± 0.005 Å |
b | 12.883 ± 0.005 Å |
c | 14.939 ± 0.007 Å |
α | 64.541 ± 0.006° |
β | 73.031 ± 0.009° |
γ | 87.072 ± 0.006° |
Cell volume | 2095.8 ± 1.5 Å3 |
Cell temperature | 223 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0395 |
Residual factor for significantly intense reflections | 0.0326 |
Weighted residual factors for significantly intense reflections | 0.082 |
Weighted residual factors for all reflections included in the refinement | 0.0842 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.164 |
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/4108790.html
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Users of the data should acknowledge the original authors of the
structural data.