Crystallography Open Database

Information card for entry 1556308

Preview

Coordinates	1556308.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44.5 H50 Cl5 Co N3 S2
Calculated formula	C44.5 H50 Cl5 Co N3 S2
SMILES	c12cccc(C(=[N]3c4c(cccc4C(C)C)C(C)C)Sc4ccccc4)[n]2[Co]3([N](=C1Sc1ccccc1)c1c(cccc1C(C)C)C(C)C)(Cl)Cl.C(Cl)Cl.C(Cl)Cl
Title of publication	The effect of imine-carbon substituents in bis(imino)pyridine-based ethylene polymerisation catalysts across the transition series
Authors of publication	Smit, Theo M.; Tomov, Atanas K.; Britovsek, George J. P.; Gibson, Vernon C.; White, Andrew J. P.; Williams, David J.
Journal of publication	Catalysis Science & Technology
Year of publication	2012
Journal volume	2
Journal issue	3
Pages of publication	643
a	34.234 ± 0.006 Å
b	10.0665 ± 0.001 Å
c	27.315 ± 0.004 Å
α	90°
β	93.888 ± 0.012°
γ	90°
Cell volume	9392 ± 2 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0878
Residual factor for significantly intense reflections	0.0494
Weighted residual factors for significantly intense reflections	0.1171
Weighted residual factors for all reflections included in the refinement	0.1321
Goodness-of-fit parameter for all reflections included in the refinement	1.005
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
244205 (current)	2019-11-28	cif/ Adding structures of 1556297, 1556298, 1556299, 1556300, 1556301, 1556302, 1556303, 1556304, 1556305, 1556306, 1556307, 1556308 via cif-deposit CGI script.	1556308.cif