Crystallography Open Database

Information card for entry 4083695

Preview

Coordinates	4083695.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[2-acetyl-6-(1-methyl-2-benzoimidazolyl)pyridine]dichloronickel
Formula	C17 H21 Cl2 N3 Ni O3
Calculated formula	C17 H21 Cl2 N3 Ni O3
SMILES	[Ni]12(Cl)([OH]C)([n]3c(c4[n]1c(ccc4)C(=[O]2)C)n(c1c3cccc1)C)[OH]C.[Cl-]
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	7.8096 ± 0.0004 Å
b	12.9994 ± 0.0008 Å
c	19.3219 ± 0.0011 Å
α	90°
β	93.425 ± 0.003°
γ	90°
Cell volume	1958.06 ± 0.19 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.0415
Weighted residual factors for significantly intense reflections	0.0881
Weighted residual factors for all reflections included in the refinement	0.1084
Goodness-of-fit parameter for all reflections included in the refinement	0.818
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.	4083695.cif
117727	2014-06-15	cif/ Adding structures of 4083693, 4083694, 4083695, 4083696, 4083697, 4083698 via cif-deposit CGI script.	4083695.cif