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Information card for entry 8101431
Preview
| Coordinates | 8101431.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 4,5-dichloro-1,2,3-dithiazolium |
|---|---|
| Formula | C2 Cl3 N S2 |
| Calculated formula | C2 Cl3 N S2 |
| Title of publication | Crystal structure of 4,5-dichloro-1,2,3-dithiazolium chloride, [C~2~NS~2~Cl~2~]Cl |
| Authors of publication | Rabe, Susanne; Müller, Ulrich |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 1999 |
| Journal volume | 214 |
| Journal issue | 1 |
| Pages of publication | 68 - 68 |
| a | 5.9528 ± 0.0008 Å |
| b | 10.224 ± 0.003 Å |
| c | 10.975 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 667.7 ± 0.3 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for significantly intense reflections | 0.0244 |
| Weighted residual factors for significantly intense reflections | 0.0601 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 210238 (current) | 2018-08-30 | cif/8/10/14/ Updating bibliography and adding the _chemical_name_systematic data item in entry 8101431. |
8101431.cif |
| 210237 | 2018-08-30 | cif/8/10/14/ (antanas@echidna) Correcting the x coordinate of atom 'C5' in entry 8101431 by changing it from '0.2979(6)' to '0.1979(6)'. The change resulted in the molecule regaining proper bond lengths as described in the original CIF file. It should be noted that the original publication contains the same erroneous coordinates. |
8101431.cif |
| 130149 | 2015-01-27 | cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command. |
8101431.cif |
| 102498 | 2014-02-20 | cif/8/10/ (antanas@lokys.ibt.lt) Adding bibliographic information: issue, first page, last page. |
8101431.cif |
| 100406 | 2014-02-06 | cif/8/10/ (antanas@lokys.ibt.lt) Adding volume and issue. |
8101431.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8101431.cif |
| 1037 | 2010-03-15 | Fixed some tags from unrecognised_tag.log list. (only typing errors) |
8101431.cif |
| 966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
8101431.cif |
| 76 | 2008-02-01 | 19 files are corrected for mistakes. |
8101431.cif |
| 19 | 2008-01-26 | Changing all end-of-line codes from DOS style to UNIX style in all COD CIF files, for more convenient processing: In the cod/cif/ directory: ff \*.cif | xargs perl -i -pe 's/\r\n/\n/' |
8101431.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
8101431.cif |
| 13 | 2008-01-13 | Setting the svn:keywords property to "Author Date Revision URL Id" for all CIF files in the cod/cif directory. |
8101431.cif |
| 1 | 2007-11-30 | Adding all .cif files from the COD, downloaded in a Cod.zip file on 2007.02.07 (and the same Cod.zip is downloadable today, on 2007.11.29) |
8101431.cif |
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Users of the data should acknowledge the original authors of the
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