Crystallography Open Database

Information card for entry 4349700

Preview

Coordinates	4349700.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H13 Cl4 N O W
Calculated formula	C10 H13 Cl4 N O W
SMILES	[W](Cl)(Cl)(Cl)(Cl)([O]1CCCC1)=Nc1ccccc1
Title of publication	Selective ethylene oligomerisation using supported tungsten mono-imido catalysts
Authors of publication	Wright, Christopher M. R.; Williams, Thomas J.; Turner, Zoë R.; Buffet, Jean-Charles; O'Hare, Dermot
Journal of publication	Inorganic Chemistry Frontiers
Year of publication	2017
Journal volume	4
Journal issue	6
Pages of publication	1048
a	14.7317 ± 0.0003 Å
b	7.1889 ± 0.0001 Å
c	13.9923 ± 0.0003 Å
α	90°
β	102.12 ± 0.001°
γ	90°
Cell volume	1448.82 ± 0.05 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0402
Residual factor for significantly intense reflections	0.0308
Weighted residual factors for significantly intense reflections	0.0708
Weighted residual factors for all reflections included in the refinement	0.0744
Goodness-of-fit parameter for all reflections included in the refinement	1.085
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
235747 (current)	2019-11-24	cif/ Adding structures of 4349690, 4349691, 4349692, 4349693, 4349694, 4349695, 4349696, 4349697, 4349698, 4349699, 4349700, 4349701 via cif-deposit CGI script.	4349700.cif