Crystallography Open Database

Information card for entry 8102580

Preview

Coordinates	8102580.cif

Structure parameters

Chemical name	Poly[bis(2-(1<i>H</i>-1,2,4-triazol-1-yl-κ<i>N</i>^4^)- pyrazine-κ<i>N</i>^4^)di(thiocyanato-κ<i>N</i>)zinc^II^]
Formula	C14 H10 N12 S2 Zn
Calculated formula	C14 H10 N12 S2 Zn
Title of publication	Crystal structure of bis[2-(1H-1,2,4-triazol-1-yl-kN4)pyrazine-kN4]di(thiocyanato-kN)zinc(II), Zn(C6H5N5)2(NCS)2
Authors of publication	Yu-Fang Shi; Cheng-Qi Liu; Ming-Gen Zhao
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2010
Journal volume	225
Journal issue	1
Pages of publication	81
a	7.0415 ± 0.0013 Å
b	10.7965 ± 0.0019 Å
c	13.725 ± 0.002 Å
α	90°
β	95.697 ± 0.002°
γ	90°
Cell volume	1038.3 ± 0.3 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/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0625
Residual factor for significantly intense reflections	0.0559
Weighted residual factors for significantly intense reflections	0.1821
Weighted residual factors for all reflections included in the refinement	0.1867
Goodness-of-fit parameter for all reflections included in the refinement	1.123
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.	8102580.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102580.cif
13319	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102580 via cif-deposit CGI script.	8102580.cif