Crystallography Open Database

Information card for entry 7223813

Preview

Coordinates	7223813.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H42 Br2 Cl4 F4 N2 Ni
Calculated formula	C58 H42 Br2 Cl4 F4 N2 Ni
SMILES	Br[Ni]1(Br)[N](c2c(cccc2C)C)=C2C(=[N]1c1c(cc(c3c1cccc3)C(c1ccc(F)cc1)c1ccc(F)cc1)C(c1ccc(F)cc1)c1ccc(F)cc1)c1c3c2cccc3ccc1.ClCCl.ClCCl
Title of publication	Synthesis, characterization, and ethylene polymerization of 1-[2,4-bis(bis(4-fluorophenyl) methyl)naphthylimino]-2-arylimino acenaphthylnickel bromides: Influences of polymerization parameters on polyethylenes
Authors of publication	Yuan, Shi-Fang; Yue, Erlin; Wen, Chunyan; Sun, Wen Hua
Journal of publication	RSC Adv.
Year of publication	2016
a	11.224 Å
b	11.341 Å
c	22.484 Å
α	92.6°
β	96.06°
γ	113.86°
Cell volume	2590.56 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0619
Weighted residual factors for significantly intense reflections	0.1776
Weighted residual factors for all reflections included in the refinement	0.1818
Goodness-of-fit parameter for all reflections included in the refinement	1.069
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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