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Information card for entry 2102929
Preview
| Coordinates | 2102929.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C4 Br4 S |
|---|---|
| Calculated formula | C4 Br4 S |
| SMILES | Brc1sc(c(c1Br)Br)Br |
| Title of publication | Structures of tetrabromothiophene and tetrabromoselenophene: the influence of the heteroatom on the heterophene packing |
| Authors of publication | Helmholdt, Robert B.; Sonneveld, Ed J.; Vande Velde, Christophe M. L.; Blockhuys, Frank; Lenstra, Albert T. H.; Geise, Herman J.; Peschar, René |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2007 |
| Journal volume | 63 |
| Journal issue | 5 |
| Pages of publication | 783 - 790 |
| a | 12.6482 ± 0.0009 Å |
| b | 4.0362 ± 0.0003 Å |
| c | 16.3411 ± 0.0011 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 834.22 ± 0.17 Å3 |
| Number of distinct elements | 3 |
| Space group number | 29 |
| Hermann-Mauguin space group symbol | P c a 21 |
| Hall space group symbol | P 2c -2ac |
| Goodness-of-fit parameter for all reflections | 2.51 |
| Diffraction radiation wavelength | 1.25011 Å |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176768 (current) | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/10. |
2102929.cif |
| 130149 | 2015-01-27 | cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command. |
2102929.cif |
| 91933 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 2x CIFs. |
2102929.cif |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2102929.cif |
| 5310 | 2011-01-02 | cif/ Running cif_fix_enum with the core CIF dictionary on COD ranges 2, 8 and 9. Range 9 remained unchanged, and in ranges 2 and 8 there were 17309 modified files, most changes were fixes enumerator case. |
2102929.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. |
2102929.cif |
| 340 | 2008-04-05 | Fixing CIF files headers in the CIF files from the Acta-Cryst-B/ retrospecive deposition. |
2102929.cif |
| 326 | 2008-04-03 | Adding all Acta Cryst. B, C, and E missing retrospective CIF files up to 2008 February, generated from the files that were automatically downloaded from the IUCr site. |
2102929.cif |
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Users of the data should acknowledge the original authors of the
structural data.