Crystallography Open Database

Information card for entry 4083693

Preview

Coordinates	4083693.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[2-(1-methyl-2-benzoimidazole)-6-methylpyridine]dichloronickel
Formula	C16 H21 Cl2 N3 Ni O2
Calculated formula	C16 H21 Cl2 N3 Ni O2
SMILES	[Ni]1(Cl)(Cl)([n]2c3c(n(c2c2[n]1c(ccc2)C)C)cccc3)([OH]C)[OH]C
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	9.901 ± 0.0002 Å
b	10.8544 ± 0.0002 Å
c	11.0362 ± 0.0002 Å
α	62.365 ± 0.001°
β	69.458 ± 0.001°
γ	63.26 ± 0.001°
Cell volume	923.1 ± 0.03 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	0.0333
Weighted residual factors for significantly intense reflections	0.099
Weighted residual factors for all reflections included in the refinement	0.1028
Goodness-of-fit parameter for all reflections included in the refinement	1.123
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.	4083693.cif
117727	2014-06-15	cif/ Adding structures of 4083693, 4083694, 4083695, 4083696, 4083697, 4083698 via cif-deposit CGI script.	4083693.cif