Crystallography Open Database

Information card for entry 7060771

Preview

Coordinates	7060771.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H41 Br2 Cl2 N3 Ni
Calculated formula	C46 H41 Br2 Cl2 N3 Ni
Title of publication	Influence of intramolecular π‒π and H-bonding interactions on pyrazolylimine nickel-catalyzed ethylene polymerization and co-polymerization
Authors of publication	Sun, Yao; Chi, Mingjun; Bashir, Muhammad Sohail; Wang, Yusong; Qasim, Muhammad
Journal of publication	New Journal of Chemistry
Year of publication	2021
Journal volume	45
Journal issue	30
Pages of publication	13280 - 13285
a	9.6967 ± 0.0005 Å
b	11.2561 ± 0.0007 Å
c	21.125 ± 0.0012 Å
α	76.356 ± 0.002°
β	77.471 ± 0.002°
γ	67.677 ± 0.002°
Cell volume	2051.8 ± 0.2 Å³
Cell temperature	170 K
Ambient diffraction temperature	170 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0888
Residual factor for significantly intense reflections	0.0534
Weighted residual factors for significantly intense reflections	0.1131
Weighted residual factors for all reflections included in the refinement	0.1353
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7060771.html