Crystallography Open Database

Information card for entry 1558685

Preview

Coordinates	1558685.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H32 N6 Ni O2
Calculated formula	C44 H32 N6 Ni O2
SMILES	[Ni]12(OC(=Nc3[n]1c(cn3c1ccccc1)c1ccccc1)c1ccccc1)OC(=Nc1[n]2c(cn1c1ccccc1)c1ccccc1)c1ccccc1
Title of publication	Bis(N-acylated imidazolin-2-imine) nickel catalyzed norbornene copolymerization with methyl acrylate
Authors of publication	Li, Yanqing; Zhang, Hu; Xiao, Ru; Cai, Zhengguo
Journal of publication	Polymer Chemistry
Year of publication	2020
Journal volume	11
Journal issue	34
Pages of publication	5542 - 5547
a	9.8938 ± 0.0018 Å
b	19.286 ± 0.003 Å
c	10.6047 ± 0.0019 Å
α	90°
β	116.982 ± 0.013°
γ	90°
Cell volume	1803.2 ± 0.6 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	169.98 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.129
Residual factor for significantly intense reflections	0.0666
Weighted residual factors for significantly intense reflections	0.153
Weighted residual factors for all reflections included in the refinement	0.1858
Goodness-of-fit parameter for all reflections included in the refinement	0.921
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
276143 (current)	2022-06-22	cif/1 Fixing Z values and formulae	1558685.cif
257953	2020-10-06	cif/ Updating files of 1558683, 1558684, 1558685, 1558686 Original log message: Adding full bibliography for 1558683--1558686.cif.	1558685.cif
256188	2020-09-06	cif/ Updating files of 1558683, 1558684, 1558685, 1558686 Original log message: Adding full bibliography for 1558683--1558686.cif.	1558685.cif
254645	2020-07-29	cif/ Adding structures of 1558683, 1558684, 1558685, 1558686 via cif-deposit CGI script.	1558685.cif