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Information card for entry 7203947
Preview
| Coordinates | 7203947.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H12 B F4 S12 |
|---|---|
| Calculated formula | C15 H11.44 B F4 S12 |
| Title of publication | First radical cation salts from the symmetrical outer S‐position isomer of BEDT-TTF |
| Authors of publication | Le Moustarder, S.; Hudhomme, P.; Durand, C.; Mercier, N.; Azcondo, M. T.; Delhaes, P.; Riou, A.; Gorgues, A. |
| Journal of publication | Journal of Materials Chemistry |
| Year of publication | 2000 |
| Journal volume | 10 |
| Journal issue | 3 |
| Pages of publication | 617 |
| a | 11.91 ± 0.008 Å |
| b | 14.579 ± 0.008 Å |
| c | 13.771 ± 0.002 Å |
| α | 90° |
| β | 94.28 ± 0.02° |
| γ | 90° |
| Cell volume | 2384 ± 2 Å3 |
| Cell temperature | 294 K |
| Ambient diffraction temperature | 294 K |
| Number of distinct elements | 5 |
| 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 | 0.065 |
| Residual factor for significantly intense reflections | 0.048 |
| Weighted residual factors for all reflections | 0.061 |
| Weighted residual factors for significantly intense reflections | 0.05 |
| Goodness-of-fit parameter for all reflections | 2.354 |
| Goodness-of-fit parameter for significantly intense reflections | 2.012 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | Mo-Kα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176453 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7203947.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7203947.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7203947.cif |
| 17004 | 2011-03-31 | cif/ Commiting CIFs, that were updated with the 'cif_fix_values' script, using options '--fix-misspelled replacement_values.lst', '--fix-temperature' and '--fix-enums' with built-in table of enum values. The following cmd was used: > (set -x; find ? -name \*.cif | sort | xargs -i sh -c 'if !( > cif_fix_values --fix-misspelled ~/../inputs/replacament_values.lst {} | > cif_filter --add-cif-header {} | > sponge {} ) 2>&1 | grep NOTE; then svn revert {}; > fi' ) & |
7203947.cif |
| 3890 | 2010-12-07 | cif/7/ Adding CIFs with data extracted from New-J-Chem-2004-2000/, Org-Biomol-Chem-2004-2000/ and RSC-2004-2000/. |
7203947.cif |
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