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Information card for entry 4342613
Preview
| Coordinates | 4342613.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C36 H86 K N5 O4 Si6 U |
|---|---|
| Calculated formula | C36 H86 K N5 O4 Si6 U |
| SMILES | [C]#[N][U](N([Si](C)(C)C)[Si](C)(C)C)(N([Si](C)(C)C)[Si](C)(C)C)([N]#[C])N([Si](C)(C)C)[Si](C)(C)C.[K]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1 |
| Title of publication | U(III)-CN versus U(IV)-NC Coordination in Tris(silylamide) Complexes. |
| Authors of publication | Hervé, Alexandre; Bouzidi, Yamina; Berthet, Jean-Claude; Belkhiri, Lotfi; Thuéry, Pierre; Boucekkine, Abdou; Ephritikhine, Michel |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2015 |
| Journal volume | 54 |
| Journal issue | 5 |
| Pages of publication | 2474 |
| a | 19.4829 ± 0.001 Å |
| b | 11.9358 ± 0.0007 Å |
| c | 24.815 ± 0.0009 Å |
| α | 90° |
| β | 108.71 ± 0.003° |
| γ | 90° |
| Cell volume | 5465.6 ± 0.5 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0712 |
| Residual factor for significantly intense reflections | 0.0438 |
| Weighted residual factors for significantly intense reflections | 0.0981 |
| Weighted residual factors for all reflections included in the refinement | 0.1065 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.989 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301840 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/34/ Each referenced PubChem compound corresponds to the full crystal structure. |
4342613.cif |
| 179529 | 2016-03-24 | cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/26. |
4342613.cif |
| 132694 | 2015-03-04 | cif/ Adding structures of 4342606, 4342607, 4342608, 4342609, 4342610, 4342611, 4342612, 4342613, 4342614 via cif-deposit CGI script. |
4342613.cif |
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Users of the data should acknowledge the original authors of the
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