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Information card for entry 4081054
Preview
| Coordinates | 4081054.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C162 H198 N2 O6 Si6 U2 |
|---|---|
| Calculated formula | C162 H198 N2 O6 Si6 U2 |
| SMILES | [U]1([N]2[U]([N]1#2)(O[Si](c1c(cc(cc1C)C)C)(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)(O[Si](c1c(cc(cc1C)C)C)(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)O[Si](c1c(cc(cc1C)C)C)(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)(O[Si](c1c(cc(cc1C)C)C)(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)(O[Si](c1c(cc(cc1C)C)C)(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)O[Si](c1c(cc(cc1C)C)C)(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C |
| Title of publication | Thermally Stable Uranium Dinitrogen Complex with Siloxide Supporting Ligands |
| Authors of publication | Mansell, Stephen M.; Farnaby, Joy H.; Germeroth, Anne I.; Arnold, Polly L. |
| Journal of publication | Organometallics |
| Year of publication | 2013 |
| Journal volume | 32 |
| Journal issue | 15 |
| Pages of publication | 4214 |
| a | 29.2851 ± 0.0019 Å |
| b | 17.6856 ± 0.001 Å |
| c | 29.4728 ± 0.0017 Å |
| α | 90° |
| β | 95.943 ± 0.006° |
| γ | 90° |
| Cell volume | 15182.6 ± 1.6 Å3 |
| Cell temperature | 170 ± 2 K |
| Ambient diffraction temperature | 170 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.3565 |
| Residual factor for significantly intense reflections | 0.2573 |
| Weighted residual factors for significantly intense reflections | 0.5214 |
| Weighted residual factors for all reflections included in the refinement | 0.5687 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.156 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301831 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/08/ Each referenced PubChem compound corresponds to the full crystal structure. |
4081054.cif |
| 178699 | 2016-03-21 | cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/10. |
4081054.cif |
| 87981 | 2013-08-27 | cif/ Adding structures of 4081052, 4081053, 4081054, 4081055, 4081056, 4081057 via cif-deposit CGI script. |
4081054.cif |
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Users of the data should acknowledge the original authors of the
structural data.