Crystallography Open Database

Information card for entry 7709330

Preview

Coordinates	7709330.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H15 Cl4 O P Se W
Calculated formula	C18 H15 Cl4 O P Se W
SMILES	[W](=[Se])(Cl)(Cl)(Cl)(Cl)[O]=P(c1ccccc1)(c1ccccc1)c1ccccc1
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	12.59105 ± 0.00017 Å
b	11.06907 ± 0.00014 Å
c	15.00109 ± 0.00019 Å
α	90°
β	96.3449 ± 0.0012°
γ	90°
Cell volume	2077.91 ± 0.05 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0274
Residual factor for significantly intense reflections	0.0205
Weighted residual factors for significantly intense reflections	0.0368
Weighted residual factors for all reflections included in the refinement	0.038
Goodness-of-fit parameter for all reflections included in the refinement	1.019
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.	7709330.cif