Crystallography Open Database

Information card for entry 4120735

4120734 << 4120735 >> 4120736

Preview

Coordinates	4120735.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46.67 H54.67 Cl1.33 Co1.33 N6.67
Calculated formula	C46.6667 H54.6667 Cl1.33333 Co1.33333 N6.66667
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	20.1648 ± 0.0004 Å
b	20.1648 ± 0.0004 Å
c	16.4142 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	6674.3 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	114
Hermann-Mauguin space group symbol	P -4 21 c
Hall space group symbol	P -4 2n
Residual factor for all reflections	0.0447
Residual factor for significantly intense reflections	0.0394
Weighted residual factors for significantly intense reflections	0.0985
Weighted residual factors for all reflections included in the refinement	0.1006
Goodness-of-fit parameter for all reflections included in the refinement	1.095
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178984 (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 4/12/07.	4120735.cif
106838	2014-03-17	cif/ Adding structures of 4120735 via cif-deposit CGI script.	4120735.cif