Crystallography Open Database

Information card for entry 7037211

Preview

Coordinates	7037211.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H31 Cl2 Co N3
Calculated formula	C28 H31 Cl2 Co N3
SMILES	[Co]12(Cl)(Cl)[N](c3c(cccc3C)C)=C3c4[n]2c(C(=[N]1c1c(C)cccc1C)C)ccc4CCCC3
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	10.148 ± 0.002 Å
b	13.103 ± 0.003 Å
c	22.379 ± 0.005 Å
α	94.63 ± 0.03°
β	92.37 ± 0.03°
γ	102.84 ± 0.03°
Cell volume	2886.5 ± 1.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 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	0.0877
Residual factor for significantly intense reflections	0.0777
Weighted residual factors for significantly intense reflections	0.2235
Weighted residual factors for all reflections included in the refinement	0.2341
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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
182989 (current)	2016-05-17	Fixing some Z values and formulae	7037211.cif
175984	2016-02-05	cif/ Updating files of 7037211, 7037212, 7037213 Original log message: Adding full bibliography for 7037211--7037213.cif.	7037211.cif
170293	2015-11-14	cif/ Adding structures of 7037211, 7037212, 7037213 via cif-deposit CGI script.	7037211.cif