Crystallography Open Database

Information card for entry 7224633

Preview

Coordinates	7224633.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	4-(4-Trifluoromethylphenyl)-1,2,3,5-dithiadiazolyl triphenylstibine 2:1
Chemical name	2,7-bis[4-(trifluoromethyl)phenyl]-4/l4,5/l4,9/l4,10/l4-tetrathieto[1,2-a:3,4-a']bis[1,2,3,5]dithiadiazole triphenylstibine
Formula	C34 H23 F6 N4 S4 Sb
Calculated formula	C34 H23 F6 N4 S4 Sb
Title of publication	Short contacts of the sulphur atoms of a 1,2,3,5-dithiadiazolyl dimer with triphenylstibine: first co-crystal with an aromatic compound
Authors of publication	Boeré, René T.
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	15
Pages of publication	2748
a	11.4543 ± 0.001 Å
b	11.7399 ± 0.001 Å
c	13.948 ± 0.0012 Å
α	73.364 ± 0.001°
β	73.247 ± 0.001°
γ	82.579 ± 0.001°
Cell volume	1718.6 ± 0.3 Å³
Cell temperature	263 ± 2 K
Ambient diffraction temperature	263 ± 2 K
Ambient diffracton pressure	101 kPa
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0404
Residual factor for significantly intense reflections	0.0313
Weighted residual factors for significantly intense reflections	0.0789
Weighted residual factors for all reflections included in the refinement	0.0864
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation probe	x-ray
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
182644 (current)	2016-05-06	cif/ Updating files of 7224632, 7224633 Original log message: Adding full bibliography for 7224632--7224633.cif.	7224633.cif
178293	2016-03-18	cif/ Adding structures of 7224632, 7224633 via cif-deposit CGI script.	7224633.cif