Crystallography Open Database

Information card for entry 2022344

2022343 << 2022344 >> 2022345

Preview

Coordinates	2022344.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	<i>trans</i>-Tetrachloridobis(diethyl ether-κ<i>O</i>)tungsten(IV)
Formula	C8 H20 Cl4 O2 W
Calculated formula	C8 H20 Cl4 O2 W
SMILES	C(C)[O](CC)[W](Cl)(Cl)([O](CC)CC)(Cl)Cl
Title of publication	A 35-year-old mystery solved: a facile synthetic route and structural confirmation of tetrachlorobis(diethyl ether)tungsten(IV)
Authors of publication	Shaw, Thomas E.; Sattelberger, Alfred P.; Jurca, Titel
Journal of publication	Acta Crystallographica Section C
Year of publication	2021
Journal volume	77
Journal issue	4
Pages of publication	181 - 185
a	7.5962 ± 0.0003 Å
b	11.4871 ± 0.0004 Å
c	9.0245 ± 0.0004 Å
α	90°
β	106.339 ± 0.004°
γ	90°
Cell volume	755.66 ± 0.05 Å³
Cell temperature	297.22 ± 0.1 K
Ambient diffraction temperature	297.22 ± 0.1 K
Number of distinct elements	5
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	0.0427
Residual factor for significantly intense reflections	0.0255
Weighted residual factors for significantly intense reflections	0.0529
Weighted residual factors for all reflections included in the refinement	0.0577
Goodness-of-fit parameter for all reflections included in the refinement	1.013
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
264982 (current)	2021-05-06	cif/ Updating files of 2022344 Original log message: Adding full bibliography for 2022344.cif.	2022344.cif
263025	2021-03-13	cif/ hkl/ Adding structures of 2022344 via cif-deposit CGI script.	2022344.cif