Crystallography Open Database

Information card for entry 7702278

Preview

Coordinates	7702278.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H59 Cl2 Fe N3
Calculated formula	C44 H59 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	14.004 ± 0.002 Å
b	16.1859 ± 0.0011 Å
c	18.7893 ± 0.0014 Å
α	90°
β	110.961 ± 0.012°
γ	90°
Cell volume	3977.1 ± 0.8 Å³
Cell temperature	169.99 ± 0.12 K
Ambient diffraction temperature	170 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	0.2279
Residual factor for significantly intense reflections	0.0895
Weighted residual factors for significantly intense reflections	0.236
Weighted residual factors for all reflections included in the refinement	0.3247
Goodness-of-fit parameter for all reflections included in the refinement	0.978
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
247697 (current)	2020-02-04	cif/ Updating files of 7702277, 7702278 Original log message: Adding full bibliography for 7702277--7702278.cif.	7702278.cif
243768	2019-11-27	cif/ Adding structures of 7702277, 7702278 via cif-deposit CGI script.	7702278.cif