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Information card for entry 2232570
Preview
| Coordinates | 2232570.cif |
|---|---|
| Structure factors | 2232570.hkl |
| Original IUCr paper | HTML |
| Chemical name | Tetra-μ~2~-acetato-tetraaquadi-μ~3~-oxido-octaoxidotetrauranium(VI) methanol disolvate tetrahydrate |
|---|---|
| Formula | C10 H28 O24 U4 |
| Calculated formula | C10 H28 O24 U4 |
| SMILES | C1(=[O][U]23([O]4[U]5(O1)([O](C(C)=[O]5)[U]14(=O)([OH2])([O]=C(C)O[U]4([O]2C(C)=[O]4)([O]31)(=O)(=O)[OH2])=O)(=O)(=O)[OH2])(=O)(=O)[OH2])C.CO.CO |
| Title of publication | Tetra-μ~2~-acetato-tetraaquadi-μ~3~-oxido-octaoxidotetrauranium(VI) methanol disolvate tetrahydrate |
| Authors of publication | Sleem, Hisham; Georghiou, Paris; Dawe, Louise N. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 12 |
| Pages of publication | m1880 - m1881 |
| a | 8.334 ± 0.003 Å |
| b | 10.649 ± 0.003 Å |
| c | 16.763 ± 0.005 Å |
| α | 90° |
| β | 107.632 ± 0.004° |
| γ | 90° |
| Cell volume | 1417.8 ± 0.8 Å3 |
| Cell temperature | 163 ± 2 K |
| Ambient diffraction temperature | 163 ± 2 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 | 0.0355 |
| Residual factor for significantly intense reflections | 0.0339 |
| Weighted residual factors for significantly intense reflections | 0.0869 |
| Weighted residual factors for all reflections included in the refinement | 0.0884 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.093 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181247 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/25. |
2232570.cif 2232570.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2232570.cif 2232570.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2232570.cif 2232570.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2232570.cif 2232570.hkl |
| 31968 | 2012-01-03 | hkl/ Adding automatically assigned IUCr Fobs data for the rest of the year 2001 structures. |
2232570.cif 2232570.hkl |
| 31443 | 2012-01-02 | ../uploads/cif-deposit/cod/cif Adding structures of 2232570 via cif-deposit CGI script. |
2232570.cif |
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Users of the data should acknowledge the original authors of the
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