Crystallography Open Database

Information card for entry 4120736

4120735 << 4120736 >> 4120737

Preview

Coordinates	4120736.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H65 B Co F24 N7
Calculated formula	C72 H65 B Co F24 N7
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	11.0041 ± 0.0006 Å
b	33.2108 ± 0.0018 Å
c	20.6334 ± 0.0011 Å
α	90°
β	95.367 ± 0.003°
γ	90°
Cell volume	7507.5 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.0637
Residual factor for significantly intense reflections	0.0567
Weighted residual factors for significantly intense reflections	0.1575
Weighted residual factors for all reflections included in the refinement	0.1628
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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
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.	4120736.cif
106840	2014-03-17	cif/ Adding structures of 4120736 via cif-deposit CGI script.	4120736.cif