Crystallography Open Database

Information card for entry 4109622

Preview

Coordinates	4109622.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[(i-Pr2Ph)2nacnacCr]2(N2)
Formula	C68 H106 Cr2 N6
Calculated formula	C68 H106 Cr2 N6
Title of publication	Binding and Activation of Small Molecules by Three-Coordinate Cr(I)
Authors of publication	Wesley H. Monillas; Glenn P. A. Yap; Leonard A. MacAdams; Klaus H. Theopold
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	8090 - 8091
a	16.526 ± 0.003 Å
b	19.362 ± 0.004 Å
c	13.161 ± 0.003 Å
α	90°
β	126.411 ± 0.003°
γ	90°
Cell volume	3389.1 ± 1.2 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	4
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0649
Residual factor for significantly intense reflections	0.0496
Weighted residual factors for significantly intense reflections	0.1287
Weighted residual factors for all reflections included in the refinement	0.1419
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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
178842 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/96.	4109622.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109622.cif
58399	2012-05-28	cif/ Adding structures of 4109622 via cif-deposit CGI script.	4109622.cif