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Information card for entry 1543290
Preview
| Coordinates | 1543290.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C79 H170 K2 O24 S3 Si6 U2 |
|---|---|
| Calculated formula | C79 H170 K2 O24 S3 Si6 U2 |
| SMILES | [U]12(S[U](S1)(S2)([O]([K]12345)[Si]([O]1C(C)(C)C)(OC(C)(C)C)OC(C)(C)C)([O]2[Si]([O]3C(C)(C)C)(OC(C)(C)C)OC(C)(C)C)[O]4[Si]([O]5C(C)(C)C)(OC(C)(C)C)OC(C)(C)C)([O]([K]12345)[Si]([O]1C(C)(C)C)(OC(C)(C)C)OC(C)(C)C)([O]2[Si]([O]3C(C)(C)C)(OC(C)(C)C)OC(C)(C)C)[O]4[Si]([O]5C(C)(C)C)(OC(C)(C)C)OC(C)(C)C.c1(ccccc1)C |
| Title of publication | Synthesis and reactivity of a terminal uranium(iv) sulfide supported by siloxide ligands |
| Authors of publication | Andrez, Julie; Pécaut, Jacques; Scopelliti, Rosario; Kefalidis, Christos E.; Maron, Laurent; Rosenzweig, Michael W.; Meyer, Karsten; Mazzanti, Marinella |
| Journal of publication | Chem. Sci. |
| Year of publication | 2016 |
| Journal volume | 7 |
| Journal issue | 9 |
| Pages of publication | 5846 |
| a | 13.9735 ± 0.0017 Å |
| b | 18.272 ± 0.0011 Å |
| c | 22.168 ± 0.003 Å |
| α | 90° |
| β | 94.534 ± 0.012° |
| γ | 90° |
| Cell volume | 5642.3 ± 1.1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0642 |
| Residual factor for significantly intense reflections | 0.0463 |
| Weighted residual factors for significantly intense reflections | 0.1053 |
| Weighted residual factors for all reflections included in the refinement | 0.1327 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.156 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 186333 (current) | 2016-09-10 | cif/ Updating files of 1543284, 1543285, 1543286, 1543287, 1543288, 1543289, 1543290, 1543291, 1543292 Original log message: Adding full bibliography for 1543284--1543292.cif. |
1543290.cif |
| 182867 | 2016-05-11 | cif/ Adding structures of 1543284, 1543285, 1543286, 1543287, 1543288, 1543289, 1543290, 1543291, 1543292 via cif-deposit CGI script. |
1543290.cif |
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Users of the data should acknowledge the original authors of the
structural data.