Crystallography Open Database

Information card for entry 7702277

Preview

Coordinates	7702277.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H55 Cl2 Fe N3
Calculated formula	C42 H55 Cl2 Fe N3
Title of publication	Probing the effect of ortho-cycloalkyl ring size on activity and thermostability in cycloheptyl-fused N,N,N-iron ethylene polymerization catalysts.
Authors of publication	Guo, Jingjing; Zhang, Wenjuan; Oleynik, Ivan I.; Solan, Gregory A.; Oleynik, Irina V.; Liang, Tongling; Sun, Wen-Hua
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	1
Pages of publication	136 - 146
a	17.5657 ± 0.0015 Å
b	16.2635 ± 0.0016 Å
c	17.7642 ± 0.0017 Å
α	90°
β	118.227 ± 0.012°
γ	90°
Cell volume	4471.4 ± 0.9 Å³
Cell temperature	170 ± 0.1 K
Ambient diffraction temperature	170 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	0.191
Residual factor for significantly intense reflections	0.095
Weighted residual factors for significantly intense reflections	0.2562
Weighted residual factors for all reflections included in the refinement	0.313
Goodness-of-fit parameter for all reflections included in the refinement	0.987
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
247697 (current)	2020-02-04	cif/ Updating files of 7702277, 7702278 Original log message: Adding full bibliography for 7702277--7702278.cif.	7702277.cif
243768	2019-11-27	cif/ Adding structures of 7702277, 7702278 via cif-deposit CGI script.	7702277.cif