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Information card for entry 2238717
Preview
| Coordinates | 2238717.cif |
|---|---|
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | 4,4'-Oxybis(2,6-dimethylpyridinium) bis(trifluoromethanesulfonate) |
|---|---|
| Formula | C16 H18 F6 N2 O7 S2 |
| Calculated formula | C16 H18 F6 N2 O7 S2 |
| Title of publication | 4,4'-Oxybis(2,6-dimethylpyridinium) bis(trifluoromethanesulfonate) |
| Authors of publication | Stubbs, Amanda W.; Golen, James A.; Rheingold, Arnold L.; Manke, David R. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 11 |
| Pages of publication | o1633 - o1634 |
| a | 12.7397 ± 0.0018 Å |
| b | 11.361 ± 0.0016 Å |
| c | 15.611 ± 0.002 Å |
| α | 90° |
| β | 101.405 ± 0.004° |
| γ | 90° |
| Cell volume | 2214.9 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0621 |
| Residual factor for significantly intense reflections | 0.049 |
| Weighted residual factors for significantly intense reflections | 0.1171 |
| Weighted residual factors for all reflections included in the refinement | 0.1252 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.091 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301806 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/23 Each referenced PubChem compound corresponds to the full crystal structure. |
2238717.cif |
| 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. |
2238717.cif |
| 91112 | 2013-12-09 | cif/ Adding structures of 2238717 via cif-deposit CGI script. |
2238717.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.