Crystallography Open Database

Information card for entry 7215493

Preview

Coordinates	7215493.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H18 B F4 O2 S8
Calculated formula	C14 H18 B F3.993 O2 S8
Title of publication	Stereoisomeric semiconducting radical cation salts of chiral bis(2-hydroxypropylthio)ethylenedithioTTF with tetrafluoroborate anions
Authors of publication	Martin, Lee; Wallis, John D.; Guziak, Milena A.; Oxspring, Jack; Lopez, Jordan R.; Nakatsuji, Shin'ichi; Yamada, Jun'ichi; Akutsu, Hiroki
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	24
Pages of publication	5424
a	7.8172 ± 0.0013 Å
b	21.232 ± 0.004 Å
c	26.987 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	4479.2 ± 1.4 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	6
Space group number	20
Hermann-Mauguin space group symbol	C 2 2 21
Hall space group symbol	C 2c 2
Residual factor for significantly intense reflections	0.0603
Weighted residual factors for all reflections included in the refinement	0.1421
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180485 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/54.	7215493.cif
116177	2014-06-07	cif/ Updating files of 7215492, 7215493, 7215494 Original log message: Adding full bibliography for 7215492--7215494.cif.	7215493.cif
112298	2014-04-30	cif/ Adding structures of 7215492, 7215493, 7215494 via cif-deposit CGI script.	7215493.cif