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Information card for entry 1515596
Preview
| Coordinates | 1515596.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C132 H192 N2 Na2 O18 S2 U2 |
|---|---|
| Calculated formula | C132 H192 N2 Na2 O18 S2 U2 |
| SMILES | [U]1234(S[U]567(S1)Oc1c(C[N]5(Cc5c(O6)c(cc(c5)C)C56CC8CC(CC(C8)C6)C5)Cc5c(O7)c(cc(c5)C)C56CC7CC(CC(C5)C7)C6)cc(cc1C15CC6CC(CC(C1)C6)C5)C)Oc1c(C[N]2(Cc2c(O3)c(cc(c2)C)C23CC5CC(CC(C5)C3)C2)Cc2c(O4)c(cc(c2)C)C23CC4CC(CC(C2)C4)C3)cc(cc1C12CC3CC(CC(C1)C3)C2)C.[Na]123([O](C)CC[O]1C)([O](C)CC[O]2C)[O](C)CC[O]3C.[Na]123([O](C)CC[O]1C)([O](C)CC[O]2C)[O](C)CC[O]3C |
| 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 | 28.397 ± 0.003 Å |
| b | 17.161 ± 0.0019 Å |
| c | 55.426 ± 0.011 Å |
| α | 90° |
| β | 103.778 ± 0.011° |
| γ | 90° |
| Cell volume | 26233 ± 7 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.1004 |
| Residual factor for significantly intense reflections | 0.0805 |
| Weighted residual factors for significantly intense reflections | 0.2101 |
| Weighted residual factors for all reflections included in the refinement | 0.2182 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.481 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
1515596.cif |
| 111876 | 2014-04-28 | cif/ Adding structures of 1515592, 1515593, 1515594, 1515595, 1515596, 1515597, 1515598, 1515599 via cif-deposit CGI script. |
1515596.cif |
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Users of the data should acknowledge the original authors of the
structural data.