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Information card for entry 4305991
Preview
| Coordinates | 4305991.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | O31 S6 Th3 |
|---|---|
| Calculated formula | O31 S6 Th3 |
| SMILES | [Th]([OH2])[OH2].O.S(=O)(=O)([O-])[O-].S(=O)(=O)([O-])[O-] |
| Title of publication | An Open-Framework Thorium Sulfate Hydrate with 11.5 Å Voids |
| Authors of publication | Richard E. Wilson; S. Skanthakumar; Karah E. Knope; Christopher L. Cahill; L. Soderholm |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2008 |
| Journal volume | 47 |
| Pages of publication | 9321 - 9326 |
| a | 25.89 ± 0.004 Å |
| b | 25.89 ± 0.004 Å |
| c | 9.08 ± 0.0018 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 6086.3 ± 1.8 Å3 |
| Cell temperature | 295 K |
| Ambient diffraction temperature | 295 K |
| Number of distinct elements | 3 |
| Space group number | 137 |
| Hermann-Mauguin space group symbol | P 42/n m c :2 |
| Hall space group symbol | -P 4ac 2a |
| Residual factor for all reflections | 0.0643 |
| Residual factor for significantly intense reflections | 0.0341 |
| Weighted residual factors for significantly intense reflections | 0.0853 |
| Weighted residual factors for all reflections included in the refinement | 0.099 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179097 (current) | 2016-03-23 | cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/59. |
4305991.cif |
| 129439 | 2015-01-07 | cod/ (robertas@burundukas) Correcting values of _exptl_crystal_density_meas and _exptl_crystal_density_method data items: codsql "select codid from validation where message like '%\\'_exptl_crystal_density_meas\\' value \"not measured\" is %'" -NB \ | codid2file \ | xargs perl -i -pe "s/_exptl_crystal_density_meas\\s+'not +measured'/_exptl_crystal_density_meas ?/i; \ s/_exptl_crystal_density_method\\s+('not +measured'|\\?|none)/_exptl_crystal_density_method ./i" |
4305991.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4305991.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4305991.cif |
| 1167 | 2010-05-13 | cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19. |
4305991.cif |
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