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Information card for entry 7201212
Preview
| Coordinates | 7201212.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 4-perfluorophenyl-1,2,3,5-dithiadiazolyl |
|---|---|
| Formula | C7 F5 N2 S2 |
| Calculated formula | C7 F5 N2 S2 |
| Title of publication | Co-crystallisation of thiazyl radicals: preparation and crystal structure of [PhCNSSN][C6F5CNSSN] |
| Authors of publication | Allen, Charlotte; Haynes, Delia A.; Pask, Christopher M.; Rawson, Jeremy M. |
| Journal of publication | CrystEngComm |
| Year of publication | 2009 |
| Journal volume | 11 |
| Journal issue | 10 |
| Pages of publication | 2048 |
| a | 18.0888 ± 0.0002 Å |
| b | 10.6435 ± 0.0002 Å |
| c | 10.853 ± 0.0001 Å |
| α | 90° |
| β | 123.133 ± 0.001° |
| γ | 90° |
| Cell volume | 1749.76 ± 0.05 Å3 |
| Cell temperature | 180 ± 2 K |
| Ambient diffraction temperature | 180 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0364 |
| Residual factor for significantly intense reflections | 0.031 |
| Weighted residual factors for significantly intense reflections | 0.0787 |
| Weighted residual factors for all reflections included in the refinement | 0.0819 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.105 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180343 (current) | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/12. |
7201212.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7201212.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7201212.cif |
| 1167 | 2010-05-13 | cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19. |
7201212.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.