Crystallography Open Database

Information card for entry 4106835

Preview

Coordinates	4106835.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H28 Cl4 Co0.5 N3 O6
Calculated formula	C13 H22 Cl4 Co0.5 N3 O6
Title of publication	Perfectly Alternating Copolymerization of CO2 and Epichlorohydrin Using Cobalt(III)-Based Catalyst Systems
Authors of publication	Guang-Peng Wu; Sheng-Hsuan Wei; Wei-Min Ren; Xiao-Bing Lu; Tie-Qi Xu; Donald J. Darensbourg
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	15191 - 15199
a	5.9712 ± 0.0003 Å
b	11.235 ± 0.0005 Å
c	16.7877 ± 0.0008 Å
α	102.99 ± 0.003°
β	98.34 ± 0.003°
γ	90.483 ± 0.003°
Cell volume	1084.82 ± 0.09 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1527
Residual factor for significantly intense reflections	0.1273
Weighted residual factors for significantly intense reflections	0.4067
Weighted residual factors for all reflections included in the refinement	0.4448
Goodness-of-fit parameter for all reflections included in the refinement	1.818
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
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.	4106835.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4106835.cif
53647	2012-04-20	cif/ Adding structures of 4106835 via cif-deposit CGI script.	4106835.cif