Crystallography Open Database

Information card for entry 4071455

Preview

Coordinates	4071455.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H31 Cl2 N2 O V
Calculated formula	C27 H31 Cl2 N2 O V
SMILES	[V]1(Cl)(Cl)(Oc2c(cccc2)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	19.4008 ± 0.0014 Å
b	9.8601 ± 0.0006 Å
c	16.1374 ± 0.0008 Å
α	90°
β	121.044 ± 0.002°
γ	90°
Cell volume	2644.8 ± 0.3 Å³
Cell temperature	243.1 K
Number of distinct elements	6
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for significantly intense reflections	0.0323
Weighted residual factors for all reflections included in the refinement	0.056
Goodness-of-fit parameter for all reflections included in the refinement	1.016
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4071455.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4071455.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4071455.cif
43853	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4071455, 4071456, 4071457, 4071458 via cif-deposit CGI script.	4071455.cif