Crystallography Open Database

Information card for entry 1573092

Preview

Coordinates	1573092.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C84 H88 Br4 N4 Ni2
Calculated formula	C84 H88 Br4 N4 Ni2
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	10.1206 ± 0.0004 Å
b	11.7415 ± 0.0006 Å
c	18.2647 ± 0.0005 Å
α	100.897 ± 0.003°
β	90.722 ± 0.003°
γ	104.2 ± 0.004°
Cell volume	2062.19 ± 0.15 Å³
Cell temperature	169.98 ± 0.11 K
Ambient diffraction temperature	169.98 ± 0.11 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	0.0866
Residual factor for significantly intense reflections	0.0723
Weighted residual factors for significantly intense reflections	0.1871
Weighted residual factors for all reflections included in the refinement	0.1975
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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.	1573092.cif
295877	2024-11-12	cif/ Adding structures of 1573091, 1573092 via cif-deposit CGI script.	1573092.cif