Crystallography Open Database

Information card for entry 1506861

Preview

Coordinates	1506861.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H20 Cl2 Cu N2 O2
Calculated formula	C12 H20 Cl2 Cu N2 O2
SMILES	[Cu]1(Cl)(Cl)[N]2C(COC=2CCC2=[N]1C(CO2)(C)C)(C)C
Title of publication	Metal-Mediated Polymerization of Acrylates: Relevance of Radical Traps?
Authors of publication	Nagel, Megan; Paxton, Walter F.; Sen, Ayusman; Zakharov, Lev; Rheingold, Arnold L.
Journal of publication	Macromolecules
Year of publication	2004
Journal volume	37
Journal issue	25
Pages of publication	9305
a	14.0146 ± 0.0007 Å
b	9.5327 ± 0.0005 Å
c	11.9678 ± 0.0006 Å
α	90°
β	105.98 ± 0.001°
γ	90°
Cell volume	1537.08 ± 0.14 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0319
Residual factor for significantly intense reflections	0.0277
Weighted residual factors for significantly intense reflections	0.0767
Weighted residual factors for all reflections included in the refinement	0.0916
Goodness-of-fit parameter for all reflections included in the refinement	0.409
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1506861.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1506861.cif
51499	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 1506861 via cif-deposit CGI script.	1506861.cif