Crystallography Open Database

Information card for entry 4071457

Preview

Coordinates	4071457.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H39 Cl2 N2 O V
Calculated formula	C31 H39 Cl2 N2 O V
SMILES	[V]1(Cl)(Cl)(Oc2c(cccc2C(C)(C)C)C=[N]1c1c(cccc1C(C)C)C(C)C)=Nc1c(cccc1C)C
Title of publication	Synthesis and Structural Analysis of (Arylimido)vanadium(V) Complexes Containing Phenoxyimine Ligands: New, Efficient Catalyst Precursors for Ethylene Polymerization
Authors of publication	Onishi, Yoshifumi; Katao, Shohei; Fujiki, Michiya; Nomura, Kotohiro
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	11
Pages of publication	2590
a	18.7923 ± 0.0003 Å
b	19.5289 ± 0.0004 Å
c	19.3387 ± 0.0004 Å
α	90°
β	119.063 ± 0.0007°
γ	90°
Cell volume	6203.5 ± 0.2 Å³
Cell temperature	243.1 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 significantly intense reflections	0.0332
Weighted residual factors for all reflections included in the refinement	0.0951
Goodness-of-fit parameter for all reflections included in the refinement	1.001
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4071457.html