Crystallography Open Database

Information card for entry 4030339

Preview

Coordinates	4030339.cif

Structure parameters

Formula	C20 H30 Br4 Li O4 P2 W
Calculated formula	C20 Br4 Li O4 P2 W
SMILES	[W](Br)(Br)(Br)(Br)([O]=P(C)(C)c1ccccc1)=[O][Li]1([O]2CCCC2)[O](=P(C)(C)c2ccccc2)[Li]([O]2CCCC2)([O]1=P(C)(C)c1ccccc1)[O]=[W](Br)(Br)(Br)(Br)[O]=P(C)(C)c1ccccc1
Title of publication	Oxohalo complexes of W (V) and W (IV). The synthesis od crystal structures of [WOCl (dppe)2][BPh4], [PHMe2Ph][WOBr4(OPMe2Ph)] and [Li(OPMe2Ph)(THF)]2[WOBr4(OPMe2Ph)]2
Authors of publication	Cotton, F. A.; Mandal, S. K.
Journal of publication	European Journal of Solid State and Inorganic Chemistry
Year of publication	1991
Journal volume	28
Pages of publication	775 - 797
a	14.461 ± 0.005 Å
b	10.199 ± 0.002 Å
c	19.767 ± 0.009 Å
α	90°
β	90.94 ± 0.01°
γ	90°
Cell volume	2915 ± 1.8 Å³
Ambient diffraction temperature	294 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.046
Weighted residual factors for significantly intense reflections	0.066
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178482 (current)	2016-03-21	cif/4/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/03/03.	4030339.cif
128765	2014-12-15	cif/ Adding structures of 4030339 via cif-deposit CGI script.	4030339.cif