Crystallography Open Database

Information card for entry 7026533

Preview

Coordinates	7026533.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	trans-Trichloro(dimethylamido)bis(methyldiphenylphosphine) tungsten(IV)
Formula	C28 H32 Cl3 N P2 W
Calculated formula	C28 H32 Cl3 N P2 W
SMILES	c1(ccccc1)[P](c1ccccc1)([W](N(C)C)(Cl)(Cl)([P](c1ccccc1)(c1ccccc1)C)Cl)C
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	13.8088 ± 0.0008 Å
b	13.2473 ± 0.0008 Å
c	16.0074 ± 0.0009 Å
α	90°
β	93.997 ± 0.001°
γ	90°
Cell volume	2921.1 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0192
Residual factor for significantly intense reflections	0.0161
Weighted residual factors for significantly intense reflections	0.0339
Weighted residual factors for all reflections included in the refinement	0.035
Goodness-of-fit parameter for all reflections included in the refinement	1.065
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.	7026533.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.	7026533.cif