Crystallography Open Database

Information card for entry 7210620

Preview

Coordinates	7210620.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H16 F6 P S4
Calculated formula	C28 H16 F6 P S4
SMILES	c12sc3ccccc3c2sc2ccccc12.[F-][P](F)(F)(F)(F)F.c1cccc2c1sc1c3ccccc3sc21
Title of publication	A highly conducting organic metal derived from an organic-transistor material: benzothienobenzothiophene.
Authors of publication	Kadoya, Tomofumi; Ashizawa, Minoru; Higashino, Toshiki; Kawamoto, Tadashi; Kumeta, Shohei; Matsumoto, Hidetoshi; Mori, Takehiko
Journal of publication	Physical chemistry chemical physics : PCCP
Year of publication	2013
Journal volume	15
Journal issue	41
Pages of publication	17818 - 17822
a	13.4896 ± 0.0014 Å
b	13.4896 ± 0.0014 Å
c	6.7343 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	1225.4 ± 0.4 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	5
Space group number	114
Hermann-Mauguin space group symbol	P -4 21 c
Hall space group symbol	P -4 2n
Residual factor for significantly intense reflections	0.0392
Weighted residual factors for all reflections included in the refinement	0.1368
Goodness-of-fit parameter for all reflections included in the refinement	0.854
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180437 (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 7/21/06.	7210620.cif
88833	2013-10-09	cif/ Adding structures of 7210620, 7210621 via cif-deposit CGI script.	7210620.cif