Crystallography Open Database

Information card for entry 4515781

Preview

Coordinates	4515781.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H20 Cl8 F6 N2 W2
Calculated formula	C26 H20 Cl8 F6 N2 W2
SMILES	N(=[W]1(Cl)(Cl)(Cl)[Cl][W](=Nc2c(cc(cc2F)F)F)(Cl)(Cl)(Cl)[Cl]1)c1c(cc(cc1F)F)F.Cc1ccccc1.Cc1ccccc1
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	7.1984 ± 0.0005 Å
b	9.6255 ± 0.0006 Å
c	12.8058 ± 0.0008 Å
α	68.524 ± 0.016°
β	86.291 ± 0.018°
γ	81.137 ± 0.018°
Cell volume	815.79 ± 0.13 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0286
Residual factor for significantly intense reflections	0.024
Weighted residual factors for significantly intense reflections	0.0559
Weighted residual factors for all reflections included in the refinement	0.058
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation probe	x-ray
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
225905 (current)	2019-11-10	cif/ Adding structures of 4515780, 4515781, 4515782, 4515783, 4515784, 4515785, 4515786, 4515787, 4515788, 4515789 via cif-deposit CGI script.	4515781.cif