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Information card for entry 7054871
Preview
| Coordinates | 7054871.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H74 K N3 O2 S2 Si6 U |
|---|---|
| Calculated formula | C26 H74 K N3 O2 S2 Si6 U |
| SMILES | [U]1(SS1)(N([Si](C)(C)C)[Si](C)(C)C)(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C.[K]([O](CC)CC)[O](CC)CC |
| Title of publication | Reactivity of [U(CH2SiMe2NSiMe3)(NR2)2] (R = SiMe3) with elemental chalcogens: towards a better understanding of chalcogen atom transfer in the actinides |
| Authors of publication | Smiles, Danil E.; Wu, Guang; Hayton, Trevor W. |
| Journal of publication | New J. Chem. |
| Year of publication | 2015 |
| Journal volume | 39 |
| Journal issue | 10 |
| Pages of publication | 7563 |
| a | 15.6285 ± 0.0012 Å |
| b | 20.3969 ± 0.0016 Å |
| c | 14.6493 ± 0.0013 Å |
| α | 90° |
| β | 100.297 ± 0.004° |
| γ | 90° |
| Cell volume | 4594.6 ± 0.7 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 8 |
| 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 | 0.0224 |
| Residual factor for significantly intense reflections | 0.0174 |
| Weighted residual factors for significantly intense reflections | 0.0385 |
| Weighted residual factors for all reflections included in the refinement | 0.0399 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| 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 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
7054871.cif |
| 162087 | 2015-10-09 | cif/ Updating files of 7054870, 7054871 Original log message: Adding full bibliography for 7054870--7054871.cif. |
7054871.cif |
| 137089 | 2015-05-21 | cif/ Adding structures of 7054870, 7054871 via cif-deposit CGI script. |
7054871.cif |
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Users of the data should acknowledge the original authors of the
structural data.