Crystallography Open Database

Information card for entry 7250906

Preview

Coordinates	7250906.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C63 H64 Cl6 Fe N3
Calculated formula	C62 H62 Cl4 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	9.3002 ± 0.0004 Å
b	13.7002 ± 0.0006 Å
c	22.497 ± 0.0007 Å
α	96.212 ± 0.003°
β	90.55 ± 0.003°
γ	100.482 ± 0.004°
Cell volume	2800.8 ± 0.2 Å³
Cell temperature	169.99 ± 0.14 K
Ambient diffraction temperature	169.99 ± 0.14 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	0.1222
Residual factor for significantly intense reflections	0.0908
Weighted residual factors for significantly intense reflections	0.2673
Weighted residual factors for all reflections included in the refinement	0.2973
Goodness-of-fit parameter for all reflections included in the refinement	1.062
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
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.	7250906.cif