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Information card for entry 4514629
Preview
| Coordinates | 4514629.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C32 H24 F12 O20 S4 U2 |
|---|---|
| Calculated formula | C32 H24 F12 O20 S4 U2 |
| SMILES | C(=[O][U]1(=O)([O]=S(O[U](=O)(=O)([O]=Cc2ccccc2)([O]=Cc2ccccc2)([O]=S(O1)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F)(=O)C(F)(F)F)(OS(=O)(=O)C(F)(F)F)(=O)[O]=Cc1ccccc1)c1ccccc1 |
| Title of publication | Breaking C–O Bonds with Uranium: Uranyl Complexes as Selective Catalysts in the Hydrosilylation of Aldehydes |
| Authors of publication | Monsigny, Louis; Thuéry, Pierre; Berthet, Jean-Claude; Cantat, Thibault |
| Journal of publication | ACS Catalysis |
| Year of publication | 2019 |
| Journal volume | 9 |
| Journal issue | 10 |
| Pages of publication | 9025 |
| a | 5.6883 ± 0.0004 Å |
| b | 12.7612 ± 0.0011 Å |
| c | 16.5764 ± 0.0015 Å |
| α | 102.634 ± 0.004° |
| β | 94.632 ± 0.005° |
| γ | 96.374 ± 0.005° |
| Cell volume | 1160.02 ± 0.17 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0274 |
| Residual factor for significantly intense reflections | 0.0248 |
| Weighted residual factors for significantly intense reflections | 0.0544 |
| Weighted residual factors for all reflections included in the refinement | 0.0552 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301843 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/51/ Each referenced PubChem compound corresponds to the full crystal structure. |
4514629.cif |
| 219813 | 2019-10-28 | cif/ Adding structures of 4514628, 4514629, 4514630 via cif-deposit CGI script. |
4514629.cif |
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Users of the data should acknowledge the original authors of the
structural data.