Crystallography Open Database

Information card for entry 7710994

Preview

Coordinates	7710994.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H11 N S2
Calculated formula	C17 H11 N S2
SMILES	S=C1Sc2c3ccccc3ccc2N1c1ccccc1
Title of publication	Diaryl dithiocarbamates: synthesis, oxidation to thiuram disulfides, Co(iii) complexes [Co(S2CNAr2)3] and their use as single source precursors to CoS2
Authors of publication	Sarker, Jagodish C.; Nash, Rosie; Boonrungsiman, Suwimon; Pugh, David; Hogarth, Graeme
Journal of publication	Dalton Transactions
Year of publication	2022
a	11.5301 ± 0.0002 Å
b	15.3915 ± 0.0003 Å
c	25.5188 ± 0.0005 Å
α	72.472 ± 0.002°
β	81.684 ± 0.001°
γ	74.729 ± 0.002°
Cell volume	4155.45 ± 0.15 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0835
Residual factor for significantly intense reflections	0.0523
Weighted residual factors for significantly intense reflections	0.113
Weighted residual factors for all reflections included in the refinement	0.1271
Goodness-of-fit parameter for all reflections included in the refinement	1.015
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Diffraction radiation X-ray symbol	K-L~3~
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
277266 (current)	2022-08-17	cif/ Adding structures of 7710991, 7710992, 7710993, 7710994, 7710995 via cif-deposit CGI script.	7710994.cif