Crystallography Open Database

Information card for entry 1515333

Preview

Coordinates	1515333.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H47 Cl2 Co N3
Calculated formula	C51 H47 Cl2 Co N3
SMILES	[Co]12([N](c3c(C(c4ccccc4)c4ccccc4)cc(cc3C)C(c3ccccc3)c3ccccc3)=C(c3[n]1c(C(=[N]2c1c(cc(cc1C)C)C)C)ccc3)C)(Cl)Cl
Title of publication	2-[1-(2,4-Dibenzhydryl-6-methylphenylimino)ethyl]-6-[1-(arylimino)ethyl]pyridylcobalt(ii) dichlorides: Synthesis, characterization and ethylene polymerization behavior
Authors of publication	Lai, Jingjuan; Zhao, Weizhen; Yang, Wenhong; Redshaw, Carl; Liang, Tongling; Liu, Yongwen; Sun, Wen-Hua
Journal of publication	Polymer Chemistry
Year of publication	2012
Journal volume	3
Journal issue	3
Pages of publication	787
a	9.713 ± 0.0019 Å
b	15.277 ± 0.003 Å
c	16.407 ± 0.003 Å
α	81.79 ± 0.03°
β	84.01 ± 0.03°
γ	76.97 ± 0.03°
Cell volume	2341 ± 0.8 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 significantly intense reflections	0.0698
Weighted residual factors for significantly intense reflections	0.1791
Weighted residual factors for all reflections included in the refinement	0.1934
Goodness-of-fit parameter for all reflections included in the refinement	1.014
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1515333.cif
111136	2014-04-20	cif/ Adding structures of 1515333 via cif-deposit CGI script.	1515333.cif