Crystallography Open Database

Information card for entry 7250907

Preview

Coordinates	7250907.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C87 H81 Cl2 Fe N3
Calculated formula	C87 H81 Cl2 Fe N3
Title of publication	Modulation of 2-imino-6,7-dihydroquinlin-8(5H)-imine-iron ethylene polymerization catalysts through (cyclo)alkyl, benzhydryl and halide substitution
Authors of publication	Zhang, Randi; Ma, Yanping; Solan, Gregory A.; Wang, Yizhou; Gao, Jiahao; Liang, Tongling; Sun, Wen-Hua
Journal of publication	RSC Advances
Year of publication	2025
Journal volume	15
Journal issue	42
Pages of publication	35055 - 35067
a	28.2417 ± 0.0018 Å
b	17.0632 ± 0.0012 Å
c	17.8586 ± 0.0012 Å
α	90°
β	101.352 ± 0.006°
γ	90°
Cell volume	8437.6 ± 1 Å³
Cell temperature	170 ± 0.16 K
Ambient diffraction temperature	170 ± 0.16 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1932
Residual factor for significantly intense reflections	0.106
Weighted residual factors for significantly intense reflections	0.2488
Weighted residual factors for all reflections included in the refinement	0.3119
Goodness-of-fit parameter for all reflections included in the refinement	0.931
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
302255 (current)	2025-09-25	cif/ Adding structures of 7250906, 7250907 via cif-deposit CGI script.	7250907.cif