Crystallography Open Database

Information card for entry 7128938

Preview

Coordinates	7128938.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(C16H72N2)WS4
Formula	C32 H72 N2 S4 W
Calculated formula	C32 H72 N2 S4 W
SMILES	[W](=S)(=S)([S-])[S-].[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC
Title of publication	Tungsten disulfide thin films <i>via</i> electrodeposition from a single source precursor.
Authors of publication	Thomas, Shibin; Greenacre, Victoria K.; Smith, Danielle E.; Noori, Yasir J.; Abdelazim, Nema M.; Hector, Andrew L.; de Groot, C. H. Kees; Levason, William; Bartlett, Philip N.; Reid, Gillian
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2021
Journal volume	57
Journal issue	79
Pages of publication	10194 - 10197
a	35.5582 ± 0.0006 Å
b	28.7216 ± 0.0005 Å
c	15.5658 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	15897.2 ± 0.6 Å³
Cell temperature	100.01 ± 0.1 K
Ambient diffraction temperature	100.01 ± 0.1 K
Number of distinct elements	5
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for all reflections	0.0623
Residual factor for significantly intense reflections	0.0572
Weighted residual factors for significantly intense reflections	0.1408
Weighted residual factors for all reflections included in the refinement	0.1446
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	No
Has F_obs	No

Version history

Revision	Date	Message	Files
270365 (current)	2021-11-06	cif/ Updating files of 7128938 Original log message: Adding full bibliography for 7128938.cif.	7128938.cif
268446	2021-09-04	cif/ Adding structures of 7128938 via cif-deposit CGI script.	7128938.cif