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Information card for entry 4306911
Preview
| Coordinates | 4306911.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C22 H20 N2 O5 S U |
|---|---|
| Calculated formula | C22 H20 N2 O5 S U |
| SMILES | [U]123(=O)(=O)([O]=S(C)C)Oc4ccccc4C=[N]2c2ccccc2[N]3=Cc2ccccc2O1 |
| Title of publication | Structural Characterization and Reactivity of UO2(salophen)L and [UO2(salophen)]2: Dimerization of UO2(salophen) Fragments in Noncoordinating Solvents (salophen =N,N'-Disalicylidene-o-phenylenediaminate, L =N,N-Dimethylformamide, Dimethyl Sulfoxide) |
| Authors of publication | Koichiro Takao; Yasuhisa Ikeda |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2007 |
| Journal volume | 46 |
| Pages of publication | 1550 - 1562 |
| a | 13.303 ± 0.007 Å |
| b | 9.422 ± 0.004 Å |
| c | 17.205 ± 0.008 Å |
| α | 90° |
| β | 94.45 ± 0.05° |
| γ | 90° |
| Cell volume | 2150 ± 1.8 Å3 |
| Cell temperature | 113 ± 2 K |
| Ambient diffraction temperature | 113 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0313 |
| Residual factor for significantly intense reflections | 0.0267 |
| Weighted residual factors for significantly intense reflections | 0.0658 |
| Weighted residual factors for all reflections included in the refinement | 0.0677 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.088 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301836 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/30/ Each referenced PubChem compound corresponds to the full crystal structure. |
4306911.cif |
| 179107 | 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 4/30/69. |
4306911.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4306911.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4306911.cif |
| 1194 | 2010-06-06 | cif/4/ Adding data from Inorg-Chem-2007_01-13/ processing directory. |
4306911.cif |
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