Crystallography Open Database

Information card for entry 1548124

Preview

Coordinates	1548124.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H34 N Ni O4 P
Calculated formula	C42 N Ni O4 P
SMILES	[Ni]1(N(C2C(=[O]1)c1ccccc1C(=O)C=2)c1c(OC)cccc1OC)([P](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
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	9.3668 ± 0.0009 Å
b	25.991 ± 0.003 Å
c	13.6228 ± 0.0012 Å
α	90°
β	92.305 ± 0.002°
γ	90°
Cell volume	3313.8 ± 0.6 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0848
Residual factor for significantly intense reflections	0.0505
Weighted residual factors for significantly intense reflections	0.1097
Weighted residual factors for all reflections included in the refinement	0.1247
Goodness-of-fit parameter for all reflections included in the refinement	0.997
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.	1548124.cif
203389	2017-11-21	cif/ Adding structures of 1548124 via cif-deposit CGI script.	1548124.cif