Crystallography Open Database

Information card for entry 4120737

4120736 << 4120737 >> 4120738

Preview

Coordinates	4120737.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H56 B Co F24 N5
Calculated formula	C68 H56 B Co F24 N5
Title of publication	Catalytic Hydrogenation Activity and Electronic Structure Determination of Bis(arylimidazol-2-ylidene)pyridine Cobalt Alkyl and Hydride Complexes
Authors of publication	Renyuan Pony Yu; Jonathan M. Darmon; Carsten Milsmann; Grant W. Margulieux; S. Chantal E. Stieber; Serena DeBeer; Paul J. Chirik
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	13168 - 13184
a	13.7593 ± 0.0006 Å
b	14.5536 ± 0.0007 Å
c	19.8946 ± 0.0009 Å
α	69.192 ± 0.001°
β	76.713 ± 0.001°
γ	71.703 ± 0.001°
Cell volume	3504.2 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0489
Residual factor for significantly intense reflections	0.039
Weighted residual factors for significantly intense reflections	0.1124
Weighted residual factors for all reflections included in the refinement	0.118
Goodness-of-fit parameter for all reflections included in the refinement	1.075
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4120737.cif
106842	2014-03-17	cif/ Adding structures of 4120737 via cif-deposit CGI script.	4120737.cif