Crystallography Open Database

Information card for entry 4067556

Preview

Coordinates	4067556.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H29 Cl2 Co N3
Calculated formula	C29 H29 Cl2 Co N3
SMILES	[Co]12(Cl)(Cl)[N](c3c(cccc3C)C)=C(C)c3cccc4ccc([n]2c34)C(=[N]1c1c(C)cccc1C)C
Title of publication	Ferrous and Cobaltous Chlorides Bearing 2,8-Bis(imino)quinolines: Highly Active Catalysts for Ethylene Polymerization at High Temperature
Authors of publication	Zhang, Shu; Sun, Wen-Hua; Xiao, Tianpengfei; Hao, Xiang
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	5
Pages of publication	1168
a	37.761 ± 0.009 Å
b	8.1979 ± 0.0016 Å
c	20.037 ± 0.009 Å
α	90°
β	121.87 ± 0.02°
γ	90°
Cell volume	5268 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1908
Residual factor for significantly intense reflections	0.1437
Weighted residual factors for significantly intense reflections	0.2075
Weighted residual factors for all reflections included in the refinement	0.2215
Goodness-of-fit parameter for all reflections included in the refinement	1.359
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
178566 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/75.	4067556.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4067556.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4067556.cif
34227	2012-02-13	../uploads/cif-deposit/cod/cif Adding structures of 4067555, 4067556 via cif-deposit CGI script.	4067556.cif