Crystallography Open Database

Information card for entry 1556306

Preview

Coordinates	1556306.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44.25 H49.5 Cl4.5 Co N3 O2
Calculated formula	C44.25 H49.5 Cl4.5 Co N3 O2
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	12.8687 ± 0.0006 Å
b	19.6515 ± 0.0016 Å
c	18.0924 ± 0.0009 Å
α	90°
β	90.931 ± 0.004°
γ	90°
Cell volume	4574.8 ± 0.5 Å³
Cell temperature	183 K
Ambient diffraction temperature	183 K
Number of distinct elements	6
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	0.106
Residual factor for significantly intense reflections	0.0615
Weighted residual factors for significantly intense reflections	0.1421
Weighted residual factors for all reflections included in the refinement	0.1587
Goodness-of-fit parameter for all reflections included in the refinement	1.008
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
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.	1556306.cif