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Information card for entry 2019605
Preview
| Coordinates | 2019605.cif |
|---|---|
| Structure factors | 2019605.hkl |
| Original IUCr paper | HTML |
| Chemical name | Hexaaquabis(sulfato-κ^2^<i>O</i>,<i>O</i>')uranium(IV) dihydrate |
|---|---|
| Formula | H16 O16 S2 U |
| Calculated formula | H16 O16 S2 U |
| SMILES | O1S(=O)(=O)O[U]21(OS(=O)(=O)O2)([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].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 | 8.4071 ± 0.0003 Å |
| b | 11.7144 ± 0.0004 Å |
| c | 13.2659 ± 0.0004 Å |
| α | 90° |
| β | 92.51 ± 0.001° |
| γ | 90° |
| Cell volume | 1305.23 ± 0.08 Å3 |
| Cell temperature | 90 ± 2 K |
| Ambient diffraction temperature | 90 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0268 |
| Residual factor for significantly intense reflections | 0.0173 |
| Weighted residual factors for significantly intense reflections | 0.0324 |
| Weighted residual factors for all reflections included in the refinement | 0.0349 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
| 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. |
2019605.cif 2019605.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. |
2019605.cif 2019605.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. |
2019605.cif 2019605.hkl |
| 118096 | 2014-06-26 | cif/ hkl/ Adding structures of 2019604, 2019605 via cif-deposit CGI script. |
2019605.cif 2019605.hkl |
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Users of the data should acknowledge the original authors of the
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