Crystallography Open Database

Information card for entry 4085186

Preview

Coordinates	4085186.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H40 Cl2 F4 N2 Ni
Calculated formula	C54 H40 Cl2 F4 N2 Ni
SMILES	[Ni]1(Cl)(Cl)[N](=C2C(=[N]1c1c(cc(cc1C(c1ccc(F)cc1)c1ccc(F)cc1)C)C(c1ccc(F)cc1)c1ccc(F)cc1)c1c3c(ccc1)cccc23)c1c(cc(cc1C)C)C
Title of publication	Enhancing the Activity and Thermal Stability of Nickel Complex Precatalysts Using 1-[2,6-Bis(bis(4-fluorophenyl)methyl)-4-methyl phenylimino]-2-aryliminoacenaphthylene Derivatives
Authors of publication	Du, Shizhen; Kong, Shaoliang; Shi, Qisong; Mao, Jing; Guo, Cunyue; Yi, Jianjun; Liang, Tongling; Sun, Wen-Hua
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	3
Pages of publication	582
a	18.094 ± 0.004 Å
b	10.722 ± 0.002 Å
c	27.958 ± 0.006 Å
α	90°
β	100.84 ± 0.03°
γ	90°
Cell volume	5327 ± 2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for significantly intense reflections	0.0678
Weighted residual factors for significantly intense reflections	0.1758
Weighted residual factors for all reflections included in the refinement	0.1854
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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
178740 (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 4/08/51.	4085186.cif
132978	2015-03-04	cif/ Updating files of 4085186, 4085187 Original log message: Adding full bibliography for 4085186--4085187.cif.	4085186.cif
129930	2015-01-17	cif/ Adding structures of 4085186, 4085187 via cif-deposit CGI script.	4085186.cif