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Information card for entry 7103743
Preview
| Coordinates | 7103743.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C22 H16 F6 N4 O8 S2 U |
|---|---|
| Calculated formula | C22 H16 F6 N4 O8 S2 U |
| SMILES | [U]([n]1c(c2ccccn2)cccc1)([n]1c(c2ccccn2)cccc1)(=O)(=O)(OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F |
| Title of publication | A novel coordination geometry for the uranyl ion. Rhombohedral uranium environment in [UO2(OTf)2(bpy)2] and [UO2(phen)3][OTf]2 |
| Authors of publication | Jean-Claude Berthet; Michel Ephritikhine; Martine Nierlich |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2003 |
| a | 6.029 ± 0.0012 Å |
| b | 10.031 ± 0.002 Å |
| c | 11.462 ± 0.002 Å |
| α | 102.13 ± 0.03° |
| β | 92.66 ± 0.03° |
| γ | 102.87 ± 0.03° |
| Cell volume | 657.5 ± 0.2 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0248 |
| Residual factor for significantly intense reflections | 0.0248 |
| Weighted residual factors for significantly intense reflections | 0.0621 |
| Weighted residual factors for all reflections included in the refinement | 0.0621 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.949 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301853 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/10/ Each referenced PubChem compound corresponds to the full crystal structure. |
7103743.cif |
| 213973 | 2019-03-05 | cod/ Removed potentially copyrighted or irrelevant data items from 1289 entries. |
7103743.cif |
| 180140 | 2016-03-26 | cif/7/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/10/37. |
7103743.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7103743.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7103743.cif |
| 31986 | 2012-01-04 | cif/ Changing more tags to match the dictionary specifications: -_diffrn_standards_interval_count none -_diffrn_standards_interval_time none -_diffrn_standards_number none +_diffrn_standards_interval_count 0 +_diffrn_standards_interval_time . +_diffrn_standards_number 0 |
7103743.cif |
| 966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
7103743.cif |
| 823 | 2009-09-25 | cif/ Depositing information from the Chem-Comm-2003_01-17 and J-Org-Chem-2007_13-20 publications. |
7103743.cif |
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