Crystallography Open Database

Information card for entry 2234566

Preview

Coordinates	2234566.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	<i>catena</i>-Poly[(dichloridozinc)-μ-1-{4-[(1<i>H</i>-imidazol-1- yl)methyl]benzyl}-1<i>H</i>-imidazole-κ^2^<i>N</i>^3^:<i>N</i>^3'^]
Formula	C14 H14 Cl2 N4 Zn
Calculated formula	C14 H14 Cl2 N4 Zn
SMILES	[Zn](Cl)(Cl)[n]1cn(cc1)Cc1ccc(cc1)Cn1c[n](cc1)[Zn](Cl)(Cl)[n]1cn(cc1)Cc1ccc(Cn2cncc2)cc1
Title of publication	<i>catena</i>-Poly[(dichloridozinc)-μ-1-{4-[(1<i>H</i>-imidazol-1-yl)methyl]benzyl}-1<i>H</i>-imidazole-κ^2^<i>N</i>^3^:<i>N</i>^3'^]
Authors of publication	Wang, Cheng; Wen, Bo; Sun, Zhi-Yao; Yan, Peng-Fei; Gao, Jin-Sheng
Journal of publication	Acta Crystallographica Section E
Year of publication	2012
Journal volume	68
Journal issue	5
Pages of publication	m621
a	11.327 ± 0.002 Å
b	10.207 ± 0.002 Å
c	14.452 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	1670.9 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0263
Residual factor for significantly intense reflections	0.0231
Weighted residual factors for significantly intense reflections	0.0616
Weighted residual factors for all reflections included in the refinement	0.0629
Goodness-of-fit parameter for all reflections included in the refinement	1.081
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
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.	2234566.cif
120072	2014-07-11	Adding DOIs to range 2 structures.	2234566.cif
60037	2012-06-14	cif/ Adding structures of 2234566 via cif-deposit CGI script.	2234566.cif