Crystallography Open Database

Information card for entry 4121313

Preview

Coordinates	4121313.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C76 H90 Cl2 Co2 N8 O4
Calculated formula	C76 H90 Cl2 Co2 N8 O4
Title of publication	Enantioselective Polymerization of Epoxides Using Biaryl-Linked Bimetallic Cobalt Catalysts: A Mechanistic Study
Authors of publication	Syud M. Ahmed; Albert Poater; M. Ian Childers; Peter C. B. Widger; Anne M. LaPointe; Emil B. Lobkovsky; Geoffrey W. Coates; Luigi Cavallo
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	18901 - 18911
a	18.93 ± 0.011 Å
b	31.767 ± 0.019 Å
c	44.19 ± 0.03 Å
α	90°
β	90°
γ	90°
Cell volume	26574 ± 3 Å³
Cell temperature	213 ± 2 K
Ambient diffraction temperature	213 ± 2 K
Number of distinct elements	6
Space group number	22
Hermann-Mauguin space group symbol	F 2 2 2
Hall space group symbol	F 2 2
Residual factor for all reflections	0.0842
Residual factor for significantly intense reflections	0.0655
Weighted residual factors for significantly intense reflections	0.1556
Weighted residual factors for all reflections included in the refinement	0.1645
Goodness-of-fit parameter for all reflections included in the refinement	0.994
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179015 (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 4/12/13.	4121313.cif
107516	2014-03-20	cif/ Adding structures of 4121313 via cif-deposit CGI script.	4121313.cif