Crystallography Open Database

Information card for entry 2243232

Preview

Coordinates	2243232.cif
Structure factors	2243232.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	Bis[μ-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione-κ^2^<i>S</i>:<i>S</i>]bis{(thiocyanato-κ<i>S</i>)[1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione-κ<i>S</i>]silver(I)}
Formula	C10 H12 Ag2 N14 S6
Calculated formula	C10 H12 Ag2 N14 S6
SMILES	[Ag]1([S](=C2NN=CN2)[Ag](SC#N)([S]=C2NC=NN2)[S]1=C1NC=NN1)([S]=C1NN=CN1)SC#N
Title of publication	Crystal and molecular structures of a binuclear mixed ligand complex of silver(I) with thiocyanate and 1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione
Authors of publication	Kreaunakpan, Janjira; Chainok, Kittipong; Halcovitch, Nathan R.; Tiekink, Edward R. T.; Pirojsirikul, Teerapong; Saithong, Saowanit
Journal of publication	Acta Crystallographica Section E
Year of publication	2020
Journal volume	76
Journal issue	1
Pages of publication	42 - 47
a	4.8718 ± 0.0001 Å
b	15.9511 ± 0.0001 Å
c	13.9575 ± 0.0001 Å
α	90°
β	96.945 ± 0.001°
γ	90°
Cell volume	1076.69 ± 0.02 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0255
Residual factor for significantly intense reflections	0.0252
Weighted residual factors for significantly intense reflections	0.066
Weighted residual factors for all reflections included in the refinement	0.0661
Goodness-of-fit parameter for all reflections included in the refinement	1.174
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
246416 (current)	2020-01-01	cif/ hkl/ Adding structures of 2243232 via cif-deposit CGI script.	2243232.cif 2243232.hkl