Crystallography Open Database

Information card for entry 2104978

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Coordinates	2104978.cif
Original IUCr paper	HTML

Structure parameters

Formula	C6 H4 S2 Tl2
Calculated formula	C3 H2 S 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	6.5525 ± 0.0003 Å
b	6.8444 ± 0.0003 Å
c	9.5265 ± 0.0002 Å
α	71.798 ± 0.002°
β	85.988 ± 0.002°
γ	89.219 ± 0.002°
Cell volume	404.86 ± 0.03 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	1.218
Method of determination	powder diffraction
Diffraction radiation wavelength	0.698163 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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.	2104978.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'	2104978.cif
125873	2014-10-25	cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes.	2104978.cif
29204	2011-11-02	../uploads/cif-deposit/cod/cif Adding structures of 2104978, 2104979 via cif-deposit CGI script.	2104978.cif