Crystallography Open Database

Information card for entry 4100230

Preview

Coordinates	4100230.cif

Structure parameters

Common name	gammma-TBC3_Br_TCE2
Formula	C28 H30 Br Cl6 S16
Calculated formula	C27.8 H16 Br Cl6 S16
Title of publication	Current-Induced Low-Resistance State and Its Crystal Structure of a TTF-Based Dimeric Donor Salt
Authors of publication	Michio M. Matsushita; Tadashi Sugawara
Journal of publication	Journal of the American Chemical Society
Year of publication	2005
a	12.4007 ± 0.0003 Å
b	12.4007 ± 0.0003 Å
c	29.8325 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	4587.6 ± 0.2 Å³
Cell temperature	270 ± 2 K
Ambient diffraction temperature	270 ± 2 K
Number of distinct elements	5
Space group number	76
Hermann-Mauguin space group symbol	P 41
Hall space group symbol	P 4w
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
130149 (current)	2015-01-27	cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command.	4100230.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4100230.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.	4100230.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/'	4100230.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	4100230.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.	4100230.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)	4100230.cif