Crystallography Open Database

Information card for entry 4339106

Preview

Coordinates	4339106.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H18 Cl Cu N4
Calculated formula	C18 H18 Cl Cu N4
SMILES	[Cu]123([n]4c(C[N]1(Cc1[n]2cccc1)Cc1[n]3cccc1)cccc4)Cl
Title of publication	Atom transfer radical addition in the presence of catalytic amounts of copper(I/II) complexes with tris(2-pyridylmethyl)amine.
Authors of publication	Eckenhoff, William T.; Pintauer, Tomislav
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	15
Pages of publication	5844 - 5846
a	24.8433 ± 0.0008 Å
b	12.9735 ± 0.0004 Å
c	12.593 ± 0.0004 Å
α	90°
β	114.14°
γ	90°
Cell volume	3703.8 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0431
Residual factor for significantly intense reflections	0.0311
Weighted residual factors for significantly intense reflections	0.0813
Weighted residual factors for all reflections included in the refinement	0.0843
Goodness-of-fit parameter for all reflections included in the refinement	0.969
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
179494 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/91.	4339106.cif
117142	2014-06-14	cif/ Adding structures of 4339106, 4339107 via cif-deposit CGI script.	4339106.cif