Crystallography Open Database

Information card for entry 7037213

Preview

Coordinates	7037213.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H35 Cl2 Co N3
Calculated formula	C30 H35 Cl2 Co N3
SMILES	CC1c2[n]3c4C(CCCCc4cc2)=[N](c2c(C)cc(C)cc2C)[Co]3([N]=1c1c(C)cc(C)cc1C)(Cl)Cl
Title of publication	Controlling the molecular weights of polyethylene waxes using the highly active precatalysts of 2-(1-aryliminoethyl)-9-arylimino-5,6,7,8-tetrahydrocycloheptapyridylcobalt chlorides: synthesis, characterization, and catalytic behavior.
Authors of publication	Huang, Fang; Zhang, Wenjuan; Yue, Erlin; Liang, Tongling; Hu, Xinquan; Sun, Wen-Hua
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	45
Journal issue	2
Pages of publication	657 - 666
a	29.946 ± 0.006 Å
b	8.5447 ± 0.0017 Å
c	26.208 ± 0.005 Å
α	90°
β	109.92 ± 0.03°
γ	90°
Cell volume	6305 ± 2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for significantly intense reflections	0.0623
Weighted residual factors for significantly intense reflections	0.1689
Weighted residual factors for all reflections included in the refinement	0.1748
Goodness-of-fit parameter for all reflections included in the refinement	1.147
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
206958 (current)	2018-03-15	Fixing many Z values and formulae detected when treating files that initially displayed Z' < 1	7037213.cif
175984	2016-02-05	cif/ Updating files of 7037211, 7037212, 7037213 Original log message: Adding full bibliography for 7037211--7037213.cif.	7037213.cif
170293	2015-11-14	cif/ Adding structures of 7037211, 7037212, 7037213 via cif-deposit CGI script.	7037213.cif