Crystallography Open Database

Information card for entry 4121387

Preview

Coordinates	4121387.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H0 Co N4
Calculated formula	C32 H41 Co N4
SMILES	[Co]12([N](=C(c3[n]2c(C(=[N]1c1c(cc(cc1C)C)C)C)cc(N1CCCC1)c3)C)c1c(cc(cc1C)C)C)C
Title of publication	Bis(imino)pyridine Cobalt-Catalyzed Alkene Isomerization-Hydroboration: A Strategy for Remote Hydrofunctionalization with Terminal Selectivity
Authors of publication	Jennifer V. Obligacion; Paul J. Chirik
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	19107 - 19110
a	25.815 ± 0.004 Å
b	16.29 ± 0.002 Å
c	18.8 ± 0.003 Å
α	90°
β	133.36°
γ	90°
Cell volume	5748 ± 1.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
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	0.0407
Residual factor for significantly intense reflections	0.0311
Weighted residual factors for significantly intense reflections	0.0947
Weighted residual factors for all reflections included in the refinement	0.1119
Goodness-of-fit parameter for all reflections included in the refinement	0.641
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
179015 (current)	2016-03-22	cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/13.	4121387.cif
107594	2014-03-20	cif/ Adding structures of 4121387 via cif-deposit CGI script.	4121387.cif