Crystallography Open Database

Information card for entry 1548123

Preview

Coordinates	1548123.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C69 H56 N Ni O2.5 P
Calculated formula	C69 H56 N Ni O2.5 P
SMILES	[Ni]1(N(C2C(=[O]1)c1ccccc1C(=O)C=2)c1c(cc(cc1C(c1ccccc1)c1ccccc1)C)C(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1.O1CCCC1
Title of publication	Highly Robust Nickel Catalysts Containing Anilinonaphthoquinone Ligand for Copolymerization of Ethylene and Polar Monomers
Authors of publication	Fu, Xia; Zhang, Lingjun; Tanaka, Ryo; Shiono, Takeshi; Cai, Zhengguo
Journal of publication	Macromolecules
Year of publication	2017
Journal volume	50
Journal issue	23
Pages of publication	9216
a	14.357 ± 0.004 Å
b	19.656 ± 0.006 Å
c	20.951 ± 0.006 Å
α	70.348 ± 0.005°
β	89.603 ± 0.006°
γ	82.381 ± 0.006°
Cell volume	5514 ± 3 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 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 all reflections	0.1939
Residual factor for significantly intense reflections	0.0876
Weighted residual factors for significantly intense reflections	0.2046
Weighted residual factors for all reflections included in the refinement	0.242
Goodness-of-fit parameter for all reflections included in the refinement	0.873
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
204877 (current)	2018-01-06	cif/ Updating files of 1548123, 1548124 Original log message: Adding full bibliography for 1548123--1548124.cif.	1548123.cif
203388	2017-11-21	cif/ Adding structures of 1548123 via cif-deposit CGI script.	1548123.cif