Crystallography Open Database

Information card for entry 4083694

Preview

Coordinates	4083694.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[2-carboethoxy-6-(1-methyl-2-benzoimidazolyl)pyridine]dichloronickel
Formula	C21 H28 Cl2 N4 Ni O4
Calculated formula	C21 H28 Cl2 N4 Ni O4
SMILES	[Ni]12(Cl)(Cl)([n]3c(C(=[O]1)OCC)cccc3c1n(c3c([n]21)cccc3)C)[O]=CN(C)C.OCC
Title of publication	Synthesis, Characterization and Ethylene Oligomerization Studies of Nickel Complexes Bearing 2-Benzimidazolylpyridine Derivatives
Authors of publication	Hao, Peng; Zhang, Shu; Sun, Wen-Hua; Shi, Qisong; Adewuyi, Sherrif; Lu, Xiaoming; Li, Peizhou
Journal of publication	Organometallics
Year of publication	2007
Journal volume	26
Journal issue	9
Pages of publication	2439
a	8.0306 ± 0.0002 Å
b	12.5947 ± 0.0003 Å
c	13.34 ± 0.0003 Å
α	71.778 ± 0.002°
β	86.487 ± 0.001°
γ	86.665 ± 0.001°
Cell volume	1278.09 ± 0.05 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0435
Weighted residual factors for significantly intense reflections	0.1232
Weighted residual factors for all reflections included in the refinement	0.1406
Goodness-of-fit parameter for all reflections included in the refinement	0.961
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
178725 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/36.	4083694.cif
117727	2014-06-15	cif/ Adding structures of 4083693, 4083694, 4083695, 4083696, 4083697, 4083698 via cif-deposit CGI script.	4083694.cif