Crystallography Open Database

Information card for entry 4111212

Preview

Coordinates	4111212.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H28 Br2 Cu2 N6
Calculated formula	C26 H28 Br2 Cu2 N6
SMILES	c1cccc2C[N]3(Cc4[n]([Cu]3([n]12)Br)cccc4)CC[N]12Cc3cccc[n]3[Cu]2([n]2c(C1)cccc2)Br
Title of publication	Highly Active Copper-Based Catalyst for Atom Transfer Radical Polymerization
Authors of publication	Huadong Tang; Navamoney Arulsamy; Maciej Radosz; Youqing Shen; Nicolay V. Tsarevsky; Wade A. Braunecker; Wei Tang; Krzysztof Matyjaszewski
Journal of publication	Journal of the American Chemical Society
Year of publication	2006
Journal volume	128
Pages of publication	16277 - 16285
a	19.035 ± 0.003 Å
b	9.295 ± 0.0015 Å
c	17.598 ± 0.003 Å
α	90°
β	116.169 ± 0.013°
γ	90°
Cell volume	2794.5 ± 0.8 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.1443
Residual factor for significantly intense reflections	0.0709
Weighted residual factors for significantly intense reflections	0.1609
Weighted residual factors for all reflections included in the refinement	0.2008
Goodness-of-fit parameter for all reflections included in the refinement	1.015
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
178883 (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 4/11/12.	4111212.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4111212.cif
60737	2012-06-18	cif/ Adding structures of 4111212 via cif-deposit CGI script.	4111212.cif