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Information card for entry 1508184
Preview
| Coordinates | 1508184.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C69 H82 N8 O4 Si2 U2 |
|---|---|
| Calculated formula | C69 H82 N8 O4 Si2 U2 |
| SMILES | C1c2ccc3C(C)(C)c4ccc5C=[N]6c7cc(C)c(C)cc7[N]7=Cc8ccc9C(C)(C)c%10ccc%11C=[N]%12c%13cc(C)c(C)cc%13[N]=1[U]1%136(n23)(n45)(O[Si](C)(C)C)O[U]7%12%13(n%10%11)(n89)(O1)O[Si](C)(C)C.Cc1ccccc1.Cc1ccccc1.c1ccc(cc1)C |
| Title of publication | Strongly coupled binuclear uranium-oxo complexes from uranyl oxo rearrangement and reductive silylation. |
| Authors of publication | Arnold, Polly L.; Jones, Guy M.; Odoh, Samuel O.; Schreckenbach, Georg; Magnani, Nicola; Love, Jason B. |
| Journal of publication | Nature chemistry |
| Year of publication | 2012 |
| Journal volume | 4 |
| Journal issue | 3 |
| Pages of publication | 221 - 227 |
| a | 16.2362 ± 0.0015 Å |
| b | 18.1288 ± 0.0015 Å |
| c | 26.4879 ± 0.0019 Å |
| α | 90° |
| β | 101.144 ± 0.009° |
| γ | 90° |
| Cell volume | 7649.5 ± 1.1 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0631 |
| Residual factor for significantly intense reflections | 0.0453 |
| Weighted residual factors for significantly intense reflections | 0.1136 |
| Weighted residual factors for all reflections included in the refinement | 0.1285 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.784 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301775 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/50 Each referenced PubChem compound corresponds to the full crystal structure. |
1508184.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1508184.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1508184.cif |
| 62730 | 2012-07-09 | cif/ Adding structures of 1508184 via cif-deposit CGI script. |
1508184.cif |
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