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Information card for entry 4343536
Preview
| Coordinates | 4343536.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C78 H65 Cl6 F9 O15 P4 S3 Si U |
|---|---|
| Calculated formula | C78 H65 Cl6 F9 O15 P4 S3 Si U |
| SMILES | ClCCl.C(Cl)Cl.[U]123(OS(=[O]2)(=O)C(F)(F)F)([O]=P(c2ccccc2)(c2ccccc2)CP(=[O]1)(c1ccccc1)c1ccccc1)([O]=P(c1ccccc1)(CP(c1ccccc1)(c1ccccc1)=[O]3)c1ccccc1)(O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)OS(=O)(=O)C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.ClCCl.O(CC)CC |
| Title of publication | Oxo Ligand Substitution in a Cationic Uranyl Complex: Synergistic Interaction of an Electrophile and a Reductant. |
| Authors of publication | Pedrick, Elizabeth A.; Wu, Guang; Hayton, Trevor W. |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2015 |
| Journal volume | 54 |
| Journal issue | 14 |
| Pages of publication | 7038 - 7044 |
| a | 17.81 ± 0.003 Å |
| b | 18.573 ± 0.003 Å |
| c | 25.953 ± 0.004 Å |
| α | 90° |
| β | 94.423 ± 0.004° |
| γ | 90° |
| Cell volume | 8559 ± 2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 9 |
| 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 | 0.1273 |
| Residual factor for significantly intense reflections | 0.0729 |
| Weighted residual factors for significantly intense reflections | 0.1806 |
| Weighted residual factors for all reflections included in the refinement | 0.2139 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176428 (current) | 2016-02-13 | cif/ (antanas@kurmis) Replacing _cod_cif_authors_sg_Hall tag with _cod_original_sg_symbol_Hall tag and _cod_cif_authors_sg_H-M tag with _cod_original_sg_symbol_H-M tag in multiple entries sine the replaced tags are deprecated according to the COD CIF dictionary. |
4343536.cif |
| 152831 | 2015-08-05 | cif/ Updating files of 4343535, 4343536, 4343537 Original log message: Adding full bibliography for 4343535--4343537.cif. |
4343536.cif |
| 139964 | 2015-07-04 | cif/ Adding structures of 4343535, 4343536, 4343537 via cif-deposit CGI script. |
4343536.cif |
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Users of the data should acknowledge the original authors of the
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