Crystallography Open Database

Information card for entry 7118272

Preview

Coordinates	7118272.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H26 Cl N W
Calculated formula	C15 H26 Cl N W
SMILES	[W](Cl)(=Nc1c(cccc1C(C)C)C(C)C)(C)(C)C
Title of publication	Tungsten imido catalysts for selective ethylene dimerisation.
Authors of publication	Wright, Christopher M. R.; Turner, Zoë R; Buffet, Jean-Charles; O'Hare, Dermot
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2016
Journal volume	52
Journal issue	13
Pages of publication	2850 - 2853
a	13.1669 ± 0.0001 Å
b	12.7572 ± 0.0001 Å
c	20.0394 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	3366.07 ± 0.05 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0354
Residual factor for significantly intense reflections	0.0298
Weighted residual factors for significantly intense reflections	0.0694
Weighted residual factors for all reflections included in the refinement	0.0728
Goodness-of-fit parameter for all reflections included in the refinement	0.963
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
177639 (current)	2016-03-05	cif/ Updating files of 7118272, 7118273 Original log message: Adding full bibliography for 7118272--7118273.cif.	7118272.cif
173484	2016-01-05	cif/ Adding structures of 7118272, 7118273 via cif-deposit CGI script.	7118272.cif