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Information card for entry 4307233
Preview
| Coordinates | 4307233.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | H16 N6 O26 Th2 |
|---|---|
| Calculated formula | H18 N6 O28 Th2 |
| SMILES | N1(=[O][Th]234([OH2])([OH2])(O1)([OH][Th]156([OH]2)([OH2])([OH2])([OH2])(ON(=[O]1)=O)([O]=N(=O)O5)ON(=[O]6)=O)([OH2])(ON(=[O]3)=O)ON(=O)=[O]4)=O.O.O |
| Title of publication | Structures of Dimeric Hydrolysis Products of Thorium |
| Authors of publication | Richard E. Wilson; S. Skanthakumar; Ginger Sigmon; Peter C. Burns; L. Soderholm |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2007 |
| Journal volume | 46 |
| Pages of publication | 2368 - 2372 |
| a | 6.792 ± 0.002 Å |
| b | 11.71 ± 0.004 Å |
| c | 13.778 ± 0.005 Å |
| α | 90° |
| β | 102.714 ± 0.005° |
| γ | 90° |
| Cell volume | 1069 ± 0.6 Å3 |
| Cell temperature | 298 K |
| Ambient diffraction temperature | 298 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0745 |
| Residual factor for significantly intense reflections | 0.0357 |
| Weighted residual factors for significantly intense reflections | 0.0922 |
| Weighted residual factors for all reflections included in the refinement | 0.1276 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.878 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 189301 (current) | 2016-12-21 | cif/4/30/ (antanas@echidna.ibt.lt) Marking attached hydrogen atoms in entries 4307232, 4307233, 4307234. |
4307233.cif |
| 179110 | 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 4/30/72. |
4307233.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" |
4307233.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4307233.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4307233.cif |
| 1194 | 2010-06-06 | cif/4/ Adding data from Inorg-Chem-2007_01-13/ processing directory. |
4307233.cif |
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Users of the data should acknowledge the original authors of the
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