Crystallography Open Database

Information card for entry 4083696

Preview

Coordinates	4083696.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	{(E)-2,6-dimethyl-N-(1-(6-(1-methyl-1H-benzo[d]imidazol-2-yl) pyridin-2-yl)ethylidene)benzenamine}dichloronickel
Formula	C26 H29 Cl2 N5 Ni O
Calculated formula	C26 H29 Cl2 N5 Ni O
SMILES	[Ni]12(Cl)(Cl)[N](c3c(cccc3C)C)=C(c3[n]2c(c2n(c4c([n]12)cccc4)C)ccc3)C.O=CN(C)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	8.6398 ± 0.0003 Å
b	12.7231 ± 0.0004 Å
c	12.8188 ± 0.0004 Å
α	70.687 ± 0.001°
β	80.101 ± 0.001°
γ	86.354 ± 0.001°
Cell volume	1309.98 ± 0.07 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	0.0344
Weighted residual factors for significantly intense reflections	0.1004
Weighted residual factors for all reflections included in the refinement	0.1046
Goodness-of-fit parameter for all reflections included in the refinement	1.108
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.	4083696.cif
117727	2014-06-15	cif/ Adding structures of 4083693, 4083694, 4083695, 4083696, 4083697, 4083698 via cif-deposit CGI script.	4083696.cif