Crystallography Open Database

Information card for entry 7026525

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Coordinates	7026525.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	mer-Oxodichloro(1,2-bis(diphenylphosphino)ethane) (methyldiphenylphosphine)tungsten(IV) Dichloromethane solvate
Formula	C40 H39 Cl4 O P3 W
Calculated formula	C40 H39 Cl4 O P3 W
SMILES	[W]1(Cl)(Cl)([P](c2ccccc2)(c2ccccc2)CC[P]1(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)C)=O.C(Cl)Cl
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	23.532 ± 0.002 Å
b	14.265 ± 0.001 Å
c	25.62 ± 0.002 Å
α	90°
β	105.896 ± 0.001°
γ	90°
Cell volume	8271.4 ± 1.1 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0339
Residual factor for significantly intense reflections	0.0265
Weighted residual factors for significantly intense reflections	0.0618
Weighted residual factors for all reflections included in the refinement	0.0644
Goodness-of-fit parameter for all reflections included in the refinement	1.05
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.	7026525.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.	7026525.cif