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Information card for entry 2104979
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Coordinates | 2104979.cif |
---|---|
Original IUCr paper | HTML |
Formula | C6 H4 Se2 Tl2 |
---|---|
Calculated formula | C3 H2 Se Tl |
Title of publication | Hidden superlattice in Tl~2~(SC~6~H~4~S) and Tl~2~(SeC~6~H~4~Se) solved from powder X-ray diffraction |
Authors of publication | Stone, Kevin H.; Turner, Dayna L.; Singh, Mayank Pratap; Vaid, Thomas P.; Stephens, Peter W. |
Journal of publication | Acta Crystallographica Section B |
Year of publication | 2011 |
Journal volume | 67 |
Journal issue | 5 |
Pages of publication | 409 - 415 |
a | 6.67438 ± 0.00008 Å |
b | 6.84998 ± 0.00008 Å |
c | 9.82649 ± 0.0001 Å |
α | 72.513 ± 0.002° |
β | 84.79 ± 0.002° |
γ | 88.659 ± 0.003° |
Cell volume | 426.725 ± 0.01 Å3 |
Cell temperature | 298 K |
Ambient diffraction temperature | 298 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Goodness-of-fit parameter for all reflections | 2.785 |
Method of determination | powder diffraction |
Diffraction radiation wavelength | 0.699855 Å |
Diffraction radiation type | synchrotron |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
2104979.cif |
132410 | 2015-02-25 | cod/ (robertas@burundukas) Replaced zero-length value of the tag '_chemical_name_systematic' with '?'. codsql 'select file, chemname from data \ where length(chemname) = 0' -NB \ | perl -ne 'print $1."\n" if /\b(\d{7})\s*$/' \ | codid2file \ | xargs perl -0777 -i -pe 's/\b_chemical_name_systematic \K \s*? ( \n ; \s*? \n ; | '\'' \s* '\'' \s*? ) (?=\n) /" " x8 . "?"/ixmse' |
2104979.cif |
125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2104979.cif |
29204 | 2011-11-02 | ../uploads/cif-deposit/cod/cif Adding structures of 2104978, 2104979 via cif-deposit CGI script. |
2104979.cif |
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Users of the data should acknowledge the original authors of the
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