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Information card for entry 1546479
Preview
| Coordinates | 1546479.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C73 H158 N8 Se Si6 U2 |
|---|---|
| Calculated formula | C73 H158 N8 Se Si6 U2 |
| Title of publication | Assessing Crystal Field and Magnetic Interactions in Diuranium-μ-Chalcogenide Triamidoamine Complexes With UIV-E-UIV Cores (E = S, Se, Te): Implications for Determining the Presence or Absence of Actinide-Actinide Magnetic Exchange |
| Authors of publication | Gardner, Benedict; King, David M.; Tuna, Floriana; Wooles, Ashley; Chilton, Nicholas F.; Liddle, Stephen |
| Journal of publication | Chem. Sci. |
| Year of publication | 2017 |
| a | 25.2002 ± 0.0016 Å |
| b | 19.5179 ± 0.001 Å |
| c | 17.5099 ± 0.0009 Å |
| α | 90° |
| β | 98.942 ± 0.006° |
| γ | 90° |
| Cell volume | 8507.7 ± 0.8 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0356 |
| Residual factor for significantly intense reflections | 0.0331 |
| Weighted residual factors for significantly intense reflections | 0.0819 |
| Weighted residual factors for all reflections included in the refinement | 0.0834 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301779 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure. |
1546479.cif |
| 198497 | 2017-07-06 | cif/ Adding structures of 1546479, 1546480, 1546481, 1546482, 1546483 via cif-deposit CGI script. |
1546479.cif |
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Users of the data should acknowledge the original authors of the
structural data.