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Information card for entry 2019604
Preview
| Coordinates | 2019604.cif |
|---|---|
| Structure factors | 2019604.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[[pentaaquauranium(IV)]-di-μ-sulfato-κ^4^<i>O</i>:<i>O</i>'] monohydrate] |
|---|---|
| Formula | H12 O14 S2 U |
| Calculated formula | H12 O14 S2 U |
| SMILES | [U]1([OH2])([OH2])([OH2])([OH2])([OH2])OS(=O)(=O)O[U]([OH2])([OH2])([OH2])([OH2])([OH2])(OS(=O)(=O)O1)(OS(=O)(=O)[O-])OS(=O)(=O)[O-].O.O |
| Title of publication | The effect of coordinated water on the connectivity of uranium(IV) sulfate <i>x</i>-hydrate: [U(SO~4~)~2~(H~2~O)~5~]·H~2~O and [U(SO~4~)~2~(H~2~O)~6~]·2H~2~O, and a comparison with other known structures |
| Authors of publication | Burns, Alexander D.; Patrick, Brian O.; Lam, Anita E.; Dreisinger, David |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 7 |
| Pages of publication | 726 - 731 |
| a | 7.519 ± 0.0002 Å |
| b | 13.2464 ± 0.0003 Å |
| c | 11.5073 ± 0.0004 Å |
| α | 90° |
| β | 104.388 ± 0.001° |
| γ | 90° |
| Cell volume | 1110.18 ± 0.05 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | I 1 2/a 1 |
| Hall space group symbol | -I 2ya |
| Residual factor for all reflections | 0.0108 |
| Residual factor for significantly intense reflections | 0.0108 |
| Weighted residual factors for significantly intense reflections | 0.0284 |
| Weighted residual factors for all reflections included in the refinement | 0.0284 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.313 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181866 (current) | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/96. |
2019604.cif 2019604.hkl |
| 180864 | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/96. |
2019604.cif 2019604.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2019604.cif 2019604.hkl |
| 118096 | 2014-06-26 | cif/ hkl/ Adding structures of 2019604, 2019605 via cif-deposit CGI script. |
2019604.cif 2019604.hkl |
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Users of the data should acknowledge the original authors of the
structural data.