Crystallography Open Database

Information card for entry 4111185

Preview

Coordinates	4111185.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H8 S6
Calculated formula	C22 H8 S6
Title of publication	Hexathiapentacene: Structure, Molecular Packing, and Thin-Film Transistors
Authors of publication	Alejandro L. Briseno; Qian Miao; Mang-Mang Ling; Colin Reese; Hong Meng; Zhenan Bao; Fred Wudl
Journal of publication	Journal of the American Chemical Society
Year of publication	2006
Journal volume	128
Pages of publication	15576 - 15577
a	3.8941 ± 0.0013 Å
b	14.334 ± 0.005 Å
c	16.551 ± 0.005 Å
α	72.458 ± 0.005°
β	88.886 ± 0.005°
γ	84.169 ± 0.006°
Cell volume	876.3 ± 0.5 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0732
Residual factor for significantly intense reflections	0.0499
Weighted residual factors for significantly intense reflections	0.1208
Weighted residual factors for all reflections included in the refinement	0.1369
Goodness-of-fit parameter for all reflections included in the refinement	1
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
178882 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/11.	4111185.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4111185.cif
60710	2012-06-18	cif/ Adding structures of 4111185 via cif-deposit CGI script.	4111185.cif