Crystallography Open Database

Information card for entry 4064788

Preview

Coordinates	4064788.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H17 Cl2 Fe N3
Calculated formula	C19 H17 Cl2 Fe N3
SMILES	[Fe]1([n]2c3c([nH]c2c2c4[n]1c(CCC)ccc4ccc2)cccc3)(Cl)Cl
Title of publication	Bidentate Iron(II) Dichloride Complexes Bearing Substituted 8-(Benzimidazol-2-yl)quinolines: Synthesis, Characterization, and Ethylene Polymerization Behavior
Authors of publication	Xiao, Tianpengfei; Zhang, Shu; Kehr, Gerald; Hao, Xiang; Erker, Gerhard; Sun, Wen-Hua
Journal of publication	Organometallics
Year of publication	2011
Journal volume	30
Journal issue	13
Pages of publication	3658
a	14.916 ± 0.003 Å
b	15.255 ± 0.003 Å
c	15.909 ± 0.003 Å
α	90°
β	94.98 ± 0.03°
γ	90°
Cell volume	3606.3 ± 1.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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 significantly intense reflections	0.0568
Weighted residual factors for significantly intense reflections	0.1102
Weighted residual factors for all reflections included in the refinement	0.1142
Goodness-of-fit parameter for all reflections included in the refinement	1.156
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
178541 (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 4/06/47.	4064788.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4064788.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4064788.cif
33045	2012-02-11	../uploads/cif-deposit/cod/cif Adding structures of 4064786, 4064787, 4064788 via cif-deposit CGI script.	4064788.cif