Crystallography Open Database

Information card for entry 7026528

Preview

Coordinates	7026528.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Bis(diphenylmethylphosphine)tungsten(IV) tetrachloride
Formula	C26 H26 Cl4 P2 W
Calculated formula	C26 H26 Cl4 P2 W
SMILES	c1(ccccc1)[P]([W]([P](C)(c1ccccc1)c1ccccc1)(Cl)(Cl)(Cl)Cl)(C)c1ccccc1
Title of publication	A tungsten-mediated closed cycle of reactivity for the reduction of CO(2) to CO.
Authors of publication	Jayarathne, Upul; Chandrasekaran, Perumalreddy; Jacobsen, Heiko; Mague, Joel T.; Donahue, James P.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	40
Pages of publication	9662 - 9671
a	8.86 ± 0.003 Å
b	9.491 ± 0.003 Å
c	9.765 ± 0.003 Å
α	66.983 ± 0.004°
β	89.51 ± 0.004°
γ	63.041 ± 0.004°
Cell volume	659.2 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.0152
Residual factor for significantly intense reflections	0.0152
Weighted residual factors for significantly intense reflections	0.0388
Weighted residual factors for all reflections included in the refinement	0.0388
Goodness-of-fit parameter for all reflections included in the refinement	1.048
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
179971 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/65.	7026528.cif
93523	2014-01-13	cif/ Adding structures of 7026522, 7026523, 7026524, 7026525, 7026526, 7026527, 7026528, 7026529, 7026530, 7026531, 7026532, 7026533 via cif-deposit CGI script.	7026528.cif