Crystallography Open Database

Information card for entry 4111961

4111960 << 4111961 >> 4111962

Preview

Coordinates	4111961.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H81 Cl Cr N2 O2 P
Calculated formula	C39.5707 H61.5933 Cl0.666667 Cr0.666667 N1.33333 O2.89267 P0.666667
Title of publication	Role of the Cocatalyst in the Copolymerization of CO2 and Cyclohexene Oxide Utilizing Chromium Salen Complexes
Authors of publication	Donald J. Darensbourg; Ryan M. Mackiewicz
Journal of publication	Journal of the American Chemical Society
Year of publication	2005
Journal volume	127
Pages of publication	14026 - 14038
a	10.6357 ± 0.0016 Å
b	39.908 ± 0.006 Å
c	13.825 ± 0.002 Å
α	90°
β	94.514 ± 0.003°
γ	90°
Cell volume	5849.8 ± 1.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.2798
Residual factor for significantly intense reflections	0.0998
Weighted residual factors for significantly intense reflections	0.2045
Weighted residual factors for all reflections included in the refinement	0.2705
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
178890 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/19.	4111961.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4111961.cif
63577	2012-08-04	cif/ Adding structures of 4111961 via cif-deposit CGI script.	4111961.cif