Crystallography Open Database

Information card for entry 2238813

Preview

Coordinates	2238813.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Dichloridobis[1-(2,4,6-trimethylphenyl)-1<i>H</i>-imidazole-κ<i>N</i>^3^]copper(II)
Formula	C24 H28 Cl2 Cu N4
Calculated formula	C24 H28 Cl2 Cu N4
SMILES	c1[n](ccn1c1c(cc(cc1C)C)C)[Cu](Cl)([n]1cn(cc1)c1c(C)cc(C)cc1C)Cl
Title of publication	Dichloridobis[1-(2,4,6-trimethylphenyl)-1<i>H</i>-imidazole-κ<i>N</i>^3^]copper(II)
Authors of publication	Zhang, Yantao; Lin, Zhuzhen
Journal of publication	Acta Crystallographica Section E
Year of publication	2013
Journal volume	69
Journal issue	11
Pages of publication	m621
a	7.1488 ± 0.0006 Å
b	19.7517 ± 0.0018 Å
c	8.5126 ± 0.0007 Å
α	90°
β	92.674 ± 0.008°
γ	90°
Cell volume	1200.68 ± 0.18 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
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	0.0646
Residual factor for significantly intense reflections	0.0521
Weighted residual factors for significantly intense reflections	0.1324
Weighted residual factors for all reflections included in the refinement	0.1446
Goodness-of-fit parameter for all reflections included in the refinement	1.024
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176798 (current)	2016-02-21	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23.	2238813.cif
91232	2013-12-09	cif/ Adding structures of 2238813 via cif-deposit CGI script.	2238813.cif