Crystallography Open Database

Information card for entry 4030337

Preview

Coordinates	4030337.cif

Structure parameters

Formula	C76 H68 B Cl O P4 W
Calculated formula	C76 B Cl O P4 W
SMILES	[W]12(Cl)([P](c3ccccc3)(c3ccccc3)CC[P]1(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)CC[P]2(c1ccccc1)c1ccccc1)=O.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)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	10.291 ± 0.003 Å
b	24.274 ± 0.009 Å
c	26.07 ± 0.01 Å
α	90°
β	96.09 ± 0.03°
γ	90°
Cell volume	6476 ± 4 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	0.074
Weighted residual factors for significantly intense reflections	0.092
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.	4030337.cif
128763	2014-12-15	cif/ Adding structures of 4030337 via cif-deposit CGI script.	4030337.cif