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Information card for entry 1515594
Preview
| Coordinates | 1515594.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C130 H187 N2 O17 S U2 |
|---|---|
| Calculated formula | C130 H187 N2 O17 S U2 |
| SMILES | [U]1234(S[U]5678(Oc9c(C[N]8(Cc8c(O5)c(cc(c8)C)C58CC%10CC(CC(C5)C%10)C8)Cc5c(O6)c(cc(c5)C)C56CC8CC(CC(C5)C8)C6)cc(cc9C56CC8CC(CC(C5)C8)C6)C)[O](C)CC[O]7C)(Oc5c(C[N]4(Cc4c(O1)c(cc(c4)C)C14CC6CC(CC(C1)C6)C4)Cc1c(O2)c(cc(c1)C)C12CC4CC(CC(C1)C4)C2)cc(cc5C12CC4CC(CC(C1)C4)C2)C)[O](C)CC[O]3C.COCCOC.COCCOC.COCCOC.COCCOC |
| Title of publication | Activation of elemental S, Se and Te with uranium(iii): bridging U–E–U (E = S, Se) and diamond-core complexes U–(E)2–U (E = O, S, Se, Te) |
| Authors of publication | Lam, Oanh P.; Heinemann, Frank W.; Meyer, Karsten |
| Journal of publication | Chemical Science |
| Year of publication | 2011 |
| Journal volume | 2 |
| Journal issue | 8 |
| Pages of publication | 1538 |
| a | 22.837 ± 0.0016 Å |
| b | 24.081 ± 0.002 Å |
| c | 25.25 ± 0.002 Å |
| α | 90° |
| β | 116.123 ± 0.008° |
| γ | 90° |
| Cell volume | 12467.5 ± 1.9 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.105 |
| Residual factor for significantly intense reflections | 0.0569 |
| Weighted residual factors for significantly intense reflections | 0.1242 |
| Weighted residual factors for all reflections included in the refinement | 0.1535 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301776 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure. |
1515594.cif |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
1515594.cif |
| 111876 | 2014-04-28 | cif/ Adding structures of 1515592, 1515593, 1515594, 1515595, 1515596, 1515597, 1515598, 1515599 via cif-deposit CGI script. |
1515594.cif |
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Users of the data should acknowledge the original authors of the
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