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Information card for entry 1552196
Preview
| Coordinates | 1552196.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C90 H198 N2 O28 Si6 U2 |
|---|---|
| Calculated formula | C90 H198 N2 O28 Si6 U2 |
| SMILES | C12=[O][U]3(N1C(=O)O[U](O2)(O[Si](OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C)(O[Si](OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C)O[Si](OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C)(O[Si](OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C)(O[Si](OC(C)(C)C)([O]3C(C)(C)C)OC(C)(C)C)O[Si](OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C.C(CCC)[N+](CCCC)(CCCC)CCCC |
| Title of publication | Tuning the structure, reactivity and magnetic communication of nitride-bridged uranium complexes with the ancillary ligands |
| Authors of publication | Palumbo, Chad T.; Barluzzi, Luciano; Scopelliti, Rosario; Zivkovic, Ivica; Fabrizio, Alberto; Corminboeuf, Clémence; Mazzanti, Marinella |
| Journal of publication | Chemical Science |
| Year of publication | 2019 |
| a | 16.9403 ± 0.0002 Å |
| b | 40.0672 ± 0.0005 Å |
| c | 17.9903 ± 0.0002 Å |
| α | 90° |
| β | 96.8053 ± 0.0012° |
| γ | 90° |
| Cell volume | 12124.9 ± 0.2 Å3 |
| Cell temperature | 140 ± 0.1 K |
| Ambient diffraction temperature | 140 ± 0.1 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 | 0.0766 |
| Residual factor for significantly intense reflections | 0.073 |
| Weighted residual factors for significantly intense reflections | 0.1878 |
| Weighted residual factors for all reflections included in the refinement | 0.1906 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301780 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure. |
1552196.cif |
| 217511 | 2019-08-14 | cif/ Adding structures of 1552189, 1552190, 1552191, 1552192, 1552193, 1552194, 1552195, 1552196 via cif-deposit CGI script. |
1552196.cif |
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Users of the data should acknowledge the original authors of the
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