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Information card for entry 7200806
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| Coordinates | 7200806.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | bis(ethylenedithio)tetrathiafulvalene trifluorofluoromethylsulfonate |
|---|---|
| Chemical name | bis(ethylenedithio)tetrathiafulvalene trifluorofluoromethylsulfonate |
| Formula | C22 H18 F3 O3 S17 |
| Calculated formula | C22 H18 F3 O3 S17 |
| Title of publication | IR and Raman spectra of β″-(BEDT-TTF)2RCH2SO3 (R = SF5, CF3): dimerization related to hydrogen bonding |
| Authors of publication | Olejniczak, Iwona; Barszcz, Bolesław; Szutarska, Anna; Graja, Andrzej; Wojciechowski, Roman; Schlueter, John A.; Hata, Aaron N.; Ward, Brian H. |
| Journal of publication | Physical Chemistry Chemical Physics |
| Year of publication | 2009 |
| Journal volume | 11 |
| Journal issue | 20 |
| Pages of publication | 3910 - 3920 |
| a | 8.7924 ± 0.0004 Å |
| b | 11.6205 ± 0.0006 Å |
| c | 17.1222 ± 0.0008 Å |
| α | 77.617 ± 0.002° |
| β | 87.597 ± 0.002° |
| γ | 77.705 ± 0.002° |
| Cell volume | 1669.51 ± 0.14 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0338 |
| Residual factor for significantly intense reflections | 0.0294 |
| Weighted residual factors for significantly intense reflections | 0.0783 |
| Weighted residual factors for all reflections included in the refinement | 0.0821 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180339 (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 7/20/08. |
7200806.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7200806.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7200806.cif |
| 1167 | 2010-05-13 | cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19. |
7200806.cif |
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