Crystallography Open Database

Information card for entry 7709326

Preview

Coordinates	7709326.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C2 H6 Cl8 Se3 W2
Calculated formula	C2 H6 Cl8 Se3 W2
SMILES	[W](=[Se])([Se]([W](=[Se])(Cl)(Cl)(Cl)Cl)(C)C)(Cl)(Cl)(Cl)Cl
Title of publication	Tungsten(vi) selenide tetrachloride, WSeCl4 – synthesis, properties, coordination complexes and application of [WSeCl4(SenBu2)] for CVD growth of WSe2 thin films
Authors of publication	Greenacre, Victoria K.; Hector, Andrew L.; Huang, Ruomeng; Levason, William; Sethi, Vikesh; Reid, Gillian
Journal of publication	Dalton Transactions
Year of publication	2022
a	6.6025 ± 0.0002 Å
b	10.2899 ± 0.0005 Å
c	12.2583 ± 0.0006 Å
α	89.211 ± 0.004°
β	85.388 ± 0.003°
γ	81.076 ± 0.003°
Cell volume	820.07 ± 0.06 Å³
Cell temperature	120 ± 0.1 K
Ambient diffraction temperature	120 ± 0.1 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0459
Residual factor for significantly intense reflections	0.0363
Weighted residual factors for significantly intense reflections	0.072
Weighted residual factors for all reflections included in the refinement	0.0786
Goodness-of-fit parameter for all reflections included in the refinement	1.011
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 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
272142 (current)	2022-01-20	cif/ Adding structures of 7709323, 7709324, 7709325, 7709326, 7709327, 7709328, 7709329, 7709330 via cif-deposit CGI script.	7709326.cif