Crystallography Open Database

Information card for entry 2019892

2019891 << 2019892 >> 2019893

Preview

Structure parameters

Chemical name	Tetrabutylammonium carbamothioyl(carbamothioylamino)azanide
Formula	C18 H41 N5 S2
Calculated formula	C18 H41 N5 S2
Title of publication	N—H...S and C—H...S hydrogen bonds in two tetraalkylammonium dithiobiurea(1‒) inclusion compounds
Authors of publication	Guo, Hao; Wu, Jinfeng
Journal of publication	Acta Crystallographica Section C Structural Chemistry
Year of publication	2015
Journal volume	71
Journal issue	4
a	9.4151 ± 0.0001 Å
b	9.6835 ± 0.0001 Å
c	13.4189 ± 0.0001 Å
α	77.679 ± 0.001°
β	89.246 ± 0.001°
γ	77.692 ± 0.001°
Cell volume	1167.1 ± 0.02 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0855
Residual factor for significantly intense reflections	0.0582
Weighted residual factors for significantly intense reflections	0.1553
Weighted residual factors for all reflections included in the refinement	0.1755
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2019892.html