Crystallography Open Database

Information card for entry 1513088

Preview

Coordinates	1513088.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H4 N4 S4
Calculated formula	C10 H4 N4 S4
SMILES	c1csc(n1)c1nc2c(s1)nc(s2)c1nccs1
Title of publication	Temperature-Dependent Current‒Voltage and Photoresponsive Properties for Semiconducting Nanodevices Fabricated from an Oligothiazole Dithiol and Gold Nanoparticles
Authors of publication	Tao, Tao; Geng, Jiao; Hong, Liu; Huang, Wei; Tanaka, Hirofumi; Tanaka, Daisuke; Ogawa, Takuji
Journal of publication	The Journal of Physical Chemistry C
Year of publication	2013
Journal volume	117
Journal issue	48
Pages of publication	25325
a	5.8139 ± 0.0014 Å
b	5.8101 ± 0.0014 Å
c	17.366 ± 0.004 Å
α	90°
β	101.604 ± 0.002°
γ	90°
Cell volume	574.6 ± 0.2 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0294
Residual factor for significantly intense reflections	0.0287
Weighted residual factors for significantly intense reflections	0.0735
Weighted residual factors for all reflections included in the refinement	0.074
Goodness-of-fit parameter for all reflections included in the refinement	1.086
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1513088.cif
91682	2013-12-13	cif/ Adding structures of 1513088 via cif-deposit CGI script.	1513088.cif