Crystallography Open Database

Information card for entry 4083698

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Coordinates	4083698.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	{(E)-2,6-diisopropyl-N-(1-(6-(1-methyl-1H-benzo[d]imidazol-2-yl) pyridin-2-yl)ethylidene)benzenamine}dichloronickel
Formula	C27 H30 Cl2 N4 Ni
Calculated formula	C27 H30 Cl2 N4 Ni
SMILES	[Ni]12([n]3c(c4n(c5c([n]14)cccc5)C)cccc3C(=[N]2c1c(C(C)C)cccc1C(C)C)C)(Cl)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	9.6969 ± 0.0002 Å
b	14.9381 ± 0.0003 Å
c	18.2266 ± 0.0004 Å
α	90°
β	91.94 ± 0.001°
γ	90°
Cell volume	2638.67 ± 0.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.0305
Weighted residual factors for significantly intense reflections	0.0875
Weighted residual factors for all reflections included in the refinement	0.093
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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.	4083698.cif
117727	2014-06-15	cif/ Adding structures of 4083693, 4083694, 4083695, 4083696, 4083697, 4083698 via cif-deposit CGI script.	4083698.cif