Crystallography Open Database

Information card for entry 4515788

Preview

Coordinates	4515788.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(phenylimido)trimethyl tungsten chloride
Formula	C9 H14 Cl N W
Calculated formula	C9 H14 Cl N W
Title of publication	Exploration of Homogeneous Ethylene Dimerization Mediated by Tungsten Mono(imido) Complexes
Authors of publication	Messinis, Antonis M.; Wright, William R. H.; Batsanov, Andrei S.; Howard, Judith A. K.; Hanton, Martin J.; Dyer, Philip W.
Journal of publication	ACS Catalysis
Year of publication	2018
Journal volume	8
Journal issue	12
Pages of publication	11235
a	6.3483 ± 0.001 Å
b	7.2804 ± 0.0011 Å
c	11.9671 ± 0.0018 Å
α	90°
β	93.604 ± 0.01°
γ	90°
Cell volume	552 ± 0.15 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	5
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.0156
Residual factor for significantly intense reflections	0.0152
Weighted residual factors for significantly intense reflections	0.0404
Weighted residual factors for all reflections included in the refinement	0.0405
Goodness-of-fit parameter for all reflections included in the refinement	1.323
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
266888 (current)	2021-07-02	cif/4/51/57/ Fixing a typo in systematic chemical name for entry 4515788.	4515788.cif
225905	2019-11-10	cif/ Adding structures of 4515780, 4515781, 4515782, 4515783, 4515784, 4515785, 4515786, 4515787, 4515788, 4515789 via cif-deposit CGI script.	4515788.cif