Crystallography Open Database

Information card for entry 2019168

2019167 << 2019168 >> 2019169

Preview

Coordinates	2019168.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	<i>catena</i>-Poly[[dichloridozinc(II)]-μ-2,5-bis[4-methyl-3-(pyridin-3-yl)phenyl]-1,3,4-oxadiazole]
Formula	C26 H20 Cl2 N4 O Zn
Calculated formula	C26 H20 Cl2 N4 O Zn
SMILES	[Zn](Cl)(Cl)([n]1cccc(c2c(ccc(c3nnc(c4ccc(c(c5cccnc5)c4)C)o3)c2)C)c1)[n]1cccc(c1)c1c(C)ccc(c1)c1nnc(c2ccc(C)c(c2)c2ccc[n]([Zn](Cl)Cl)c2)o1
Title of publication	2,5-Bis[4-methyl-3-(pyridin-3-yl)phenyl]-1,3,4-oxadiazole and its one-dimensional polymeric complex with ZnCl~2~
Authors of publication	Hou, Shan; Liu, Qi-Kui; Li, Yan-An; Ma, Jian-Ping; Dong, Yu-Bin
Journal of publication	Acta Crystallographica Section C
Year of publication	2013
Journal volume	69
Journal issue	10
Pages of publication	1108 - 1111
a	17.779 ± 0.003 Å
b	7.3406 ± 0.0014 Å
c	18.944 ± 0.004 Å
α	90°
β	102.942 ± 0.002°
γ	90°
Cell volume	2409.5 ± 0.8 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0631
Residual factor for significantly intense reflections	0.0429
Weighted residual factors for significantly intense reflections	0.1014
Weighted residual factors for all reflections included in the refinement	0.1112
Goodness-of-fit parameter for all reflections included in the refinement	1.012
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	2019168.cif
89546	2013-11-06	cif/ Adding structures of 2019167, 2019168 via cif-deposit CGI script.	2019168.cif