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Information card for entry 7111202
Preview
| Coordinates | 7111202.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H20 F6 P S16 |
|---|---|
| Calculated formula | C22 H20 F6 P0.5 S16 |
| Title of publication | 2-(1,3-Dithiolan-2-ylidene)-5-(1,3-dithian-2-ylidene)- 1,3,4,6-tetrathiapentalene(DHDA-TTP), a hybrid of BDH-TTP and BDA-TTP, and its metallic cation-radical saltsElectronic supplementary information (ESI) available: selected crystallographic data. See http://www.rsc.org/suppdata/cc/b2/b200556p/ |
| Authors of publication | Yamada, Jun-ichi; Watanabe, Maki; Toita, Takashi; Akutsu, Hiroki; Nakatsuji, Shin′ichi; Nishikawa, Hiroyuki; Ikemoto, Isao; Kikuchi, Koichi |
| Journal of publication | Chemical Communications |
| Year of publication | 2002 |
| Journal issue | 10 |
| Pages of publication | 1118 |
| a | 7.93 ± 0.006 Å |
| b | 17.548 ± 0.005 Å |
| c | 6.456 ± 0.002 Å |
| α | 96.29 ± 0.03° |
| β | 108.71 ± 0.05° |
| γ | 91.28 ± 0.04° |
| Cell volume | 844.2 ± 0.8 Å3 |
| Cell temperature | 295 K |
| Ambient diffraction temperature | 295 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 significantly intense reflections | 0.048 |
| Weighted residual factors for all reflections included in the refinement | 0.043 |
| Goodness-of-fit parameter for all reflections included in the refinement | 3.7 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoK?a |
| 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. |
7111202.cif |
| 130086 | 2015-01-23 | cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ | xargs -i sh -c 'cif_fix_values {} \ | cif_filter --add-cif-header {} \ | sponge {}' |
7111202.cif |
| 96348 | 2014-01-29 | cif/ Adding structures of 7111202 via cif-deposit CGI script. |
7111202.cif |
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Users of the data should acknowledge the original authors of the
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