Crystallography Open Database

Information card for entry 7218746

Preview

Coordinates	7218746.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H6 S12
Calculated formula	C14 H6 S12
Title of publication	Full-capped 12-S-atom TTP derivatives (BV-TTP, BE-TTP, EM-TTP and EV-TTP): syntheses, structures and charge transport properties
Authors of publication	Fang, Qi; Chen, Hong-feng; Lei, Hong; Xue, Gang; Chen, Xia
Journal of publication	CrystEngComm
Year of publication	2015
Journal volume	17
Journal issue	4
Pages of publication	787
a	6.4572 ± 0.0001 Å
b	19.2326 ± 0.0002 Å
c	24.0962 ± 0.0002 Å
α	90°
β	97.446 ± 0.001°
γ	90°
Cell volume	2967.24 ± 0.06 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	3
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	0.0717
Residual factor for significantly intense reflections	0.0377
Weighted residual factors for significantly intense reflections	0.0836
Weighted residual factors for all reflections included in the refinement	0.0908
Goodness-of-fit parameter for all reflections included in the refinement	0.909
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180518 (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 7/21/87.	7218746.cif
133133	2015-03-06	cif/ Updating files of 7218742, 7218743, 7218744, 7218745, 7218746 Original log message: Adding full bibliography for 7218742--7218746.cif.	7218746.cif
127061	2014-11-12	cif/ Adding structures of 7218742, 7218743, 7218744, 7218745, 7218746 via cif-deposit CGI script.	7218746.cif