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Information card for entry 1517854
Preview
| Coordinates | 1517854.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C62 H87 N O7 S U |
|---|---|
| Calculated formula | C62 H87 N O7 S U |
| SMILES | [U]1234(S)(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 |
| Title of publication | Reactivity of uranium(iii) with H2E (E = S, Se, Te): synthesis of a series of mononuclear and dinuclear uranium(iv) hydrochalcogenido complexes |
| Authors of publication | Franke, Sebastian M.; Rosenzweig, Michael W.; Heinemann, Frank W.; Meyer, Karsten |
| Journal of publication | Chem. Sci. |
| Year of publication | 2015 |
| Journal volume | 6 |
| Journal issue | 1 |
| Pages of publication | 275 |
| a | 14.4228 ± 0.0002 Å |
| b | 14.8678 ± 0.0005 Å |
| c | 15.4212 ± 0.0009 Å |
| α | 112.831 ± 0.003° |
| β | 96.488 ± 0.004° |
| γ | 108.933 ± 0.002° |
| Cell volume | 2772.5 ± 0.2 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0261 |
| Residual factor for significantly intense reflections | 0.0189 |
| Weighted residual factors for significantly intense reflections | 0.045 |
| Weighted residual factors for all reflections included in the refinement | 0.0492 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.153 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
1517854.cif |
| 130964 | 2015-02-04 | cif/ Updating files of 1517854, 1517855, 1517856, 1517857, 1517858, 1517859 Original log message: Adding full bibliography for 1517854--1517859.cif. |
1517854.cif |
| 124386 | 2014-09-30 | cif/ Adding structures of 1517854, 1517855, 1517856, 1517857, 1517858, 1517859 via cif-deposit CGI script. |
1517854.cif |
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Users of the data should acknowledge the original authors of the
structural data.