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Information card for entry 4103687
Preview
| Coordinates | 4103687.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C34 H38 F6 N2 O11 S2 U |
|---|---|
| Calculated formula | C34 H38 F6 N2 O11 S2 U |
| SMILES | [U]123([N](=Cc4c(O2)cccc4)c2ccccc2[N]1=Cc1ccccc1O3)([O]1CCCC1)([O]1CCCC1)(OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F.O1CCCC1 |
| Title of publication | Multielectron Redox Reactions Involving C-C Coupling and Cleavage in Uranium Schiff Base Complexes |
| Authors of publication | Clément Camp; Victor Mougel; Pawel Horeglad; Jacques Pécaut; Marinella Mazzanti |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2010 |
| Journal volume | 132 |
| Pages of publication | 17374 - 17377 |
| a | 15.209 ± 0.0013 Å |
| b | 17.2523 ± 0.0014 Å |
| c | 15.051 ± 0.001 Å |
| α | 90° |
| β | 99.689 ± 0.007° |
| γ | 90° |
| Cell volume | 3892.9 ± 0.5 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.1297 |
| Residual factor for significantly intense reflections | 0.0791 |
| Weighted residual factors for significantly intense reflections | 0.1866 |
| Weighted residual factors for all reflections included in the refinement | 0.2069 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.936 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301832 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/10/ Each referenced PubChem compound corresponds to the full crystal structure. |
4103687.cif |
| 178782 | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/36. |
4103687.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4103687.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4103687.cif |
| 26720 | 2011-09-24 | ../uploads/cif-deposit/cod/cif Adding structures of 4103687 via cif-deposit CGI script. |
4103687.cif |
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Users of the data should acknowledge the original authors of the
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