Crystallography Open Database

Information card for entry 4106834

Preview

Coordinates	4106834.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H24 Cl5 N3 O
Calculated formula	C13 H24 Cl5 N3 O
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	9.6483 ± 0.0005 Å
b	11.9539 ± 0.0006 Å
c	8.5468 ± 0.0004 Å
α	90°
β	101.684 ± 0.003°
γ	90°
Cell volume	965.32 ± 0.08 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	5
Space group number	7
Hermann-Mauguin space group symbol	P 1 c 1
Hall space group symbol	P -2yc
Residual factor for all reflections	0.0393
Residual factor for significantly intense reflections	0.0381
Weighted residual factors for significantly intense reflections	0.0988
Weighted residual factors for all reflections included in the refinement	0.1002
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
178814 (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 4/10/68.	4106834.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4106834.cif
53646	2012-04-20	cif/ Adding structures of 4106834 via cif-deposit CGI script.	4106834.cif