Crystallography Open Database

Information card for entry 1558684

Preview

Coordinates	1558684.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H44 N6 Ni O2
Calculated formula	C40 H44 N6 Ni O2
SMILES	O1[Ni]2([n]3ccn(c3N=C1C13CC4CC(CC(C1)C4)C3)c1ccccc1)[n]1ccn(c1N=C(C13CC4CC(C1)CC(C3)C4)O2)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	6.3174 ± 0.0002 Å
b	10.7495 ± 0.0003 Å
c	12.7292 ± 0.0004 Å
α	74.886 ± 0.002°
β	79.406 ± 0.002°
γ	89.242 ± 0.002°
Cell volume	819.75 ± 0.04 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170.03 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.052
Residual factor for significantly intense reflections	0.0434
Weighted residual factors for significantly intense reflections	0.1223
Weighted residual factors for all reflections included in the refinement	0.1374
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
257953 (current)	2020-10-06	cif/ Updating files of 1558683, 1558684, 1558685, 1558686 Original log message: Adding full bibliography for 1558683--1558686.cif.	1558684.cif
256188	2020-09-06	cif/ Updating files of 1558683, 1558684, 1558685, 1558686 Original log message: Adding full bibliography for 1558683--1558686.cif.	1558684.cif
254645	2020-07-29	cif/ Adding structures of 1558683, 1558684, 1558685, 1558686 via cif-deposit CGI script.	1558684.cif