Crystallography Open Database

Information card for entry 1573091

Preview

Coordinates	1573091.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H36 Br2 N2 Ni
Calculated formula	C38 H36 Br2 N2 Ni
Title of publication	Axial-phenyl-constrained bis(imino)acenaphthene-nickel precatalysts enhance ethylene polymerization
Authors of publication	Wang, Quanchao; Zhang, Qiuyue; Wang, Yizhou; Zou, Song; Ma, Yanping; Liang, Tongling; Sun, Wen-Hua
Journal of publication	Polymer Chemistry
Year of publication	2024
Journal volume	15
Journal issue	48
Pages of publication	4993 - 5006
a	12.9593 ± 0.0008 Å
b	15.7707 ± 0.0006 Å
c	17.4731 ± 0.001 Å
α	90°
β	110.829 ± 0.007°
γ	90°
Cell volume	3337.7 ± 0.3 Å³
Cell temperature	169.96 ± 0.13 K
Ambient diffraction temperature	169.96 ± 0.13 K
Number of distinct elements	5
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	0.1371
Residual factor for significantly intense reflections	0.1279
Weighted residual factors for significantly intense reflections	0.2355
Weighted residual factors for all reflections included in the refinement	0.2391
Goodness-of-fit parameter for all reflections included in the refinement	1.089
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
297137 (current)	2025-01-06	cif/ Updating files of 1573091, 1573092 Original log message: Adding full bibliography for 1573091--1573092.cif.	1573091.cif
295877	2024-11-12	cif/ Adding structures of 1573091, 1573092 via cif-deposit CGI script.	1573091.cif