Crystallography Open Database

Information card for entry 7015870

Preview

Coordinates	7015870.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H30 Cl2 Cu N4
Calculated formula	C12 H30 Cl2 Cu N4
SMILES	C[N]1([Cu]23(Cl)[N](CC[N]2(C)C)(CC[N]3(C)C)CC1)C.[Cl-]
Title of publication	Atom transfer radical addition (ATRA) catalyzed by copper complexes with tris[2-(dimethylamino)ethyl]amine (Me6TREN) ligand in the presence of free-radical diazo initiator AIBN.
Authors of publication	Eckenhoff, William T.; Pintauer, Tomislav
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2011
Journal volume	40
Journal issue	18
Pages of publication	4909 - 4917
a	11.8548 ± 0.0001 Å
b	11.8548 ± 0.0001 Å
c	11.8548 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	1666.03 ± 0.02 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	198
Hermann-Mauguin space group symbol	P 21 3
Hall space group symbol	P 2ac 2ab 3
Residual factor for all reflections	0.0221
Residual factor for significantly intense reflections	0.0208
Weighted residual factors for significantly intense reflections	0.0553
Weighted residual factors for all reflections included in the refinement	0.0557
Goodness-of-fit parameter for all reflections included in the refinement	1.155
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
179862 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/58.	7015870.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7015870.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7015870.cif
21371	2011-06-22	../uploads/cif-deposit/cod/cif Adding structures of 7015870, 7015871, 7015872, 7015873, 7015874, 7015875, 7015876, 7015877 via cif-deposit CGI script.	7015870.cif