Crystallography Open Database

Information card for entry 4109626

Preview

Coordinates	4109626.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[(i-Pr2Ph)2nacnacCr]2(NPh)2
Formula	C77.5 H107 Cr2 N6 O1.5
Calculated formula	C70 H92 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	17.737 ± 0.008 Å
b	19.148 ± 0.008 Å
c	23.533 ± 0.008 Å
α	90°
β	98.279 ± 0.007°
γ	90°
Cell volume	7909 ± 6 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
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	0.1473
Residual factor for significantly intense reflections	0.0794
Weighted residual factors for significantly intense reflections	0.1789
Weighted residual factors for all reflections included in the refinement	0.1982
Goodness-of-fit parameter for all reflections included in the refinement	1.139
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.	4109626.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109626.cif
58403	2012-05-28	cif/ Adding structures of 4109626 via cif-deposit CGI script.	4109626.cif