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Title: Poly[{mu}{sub 4}-sulfido-tris(thiocyanato-{kappa}N)-tris({mu}{sub 3}-1,2,4-triazolato-{kappa}{sup 3}N{sup 1}:N{sup 2}:N{sup 4})-tetrazinc(II)] : a three-dimensional zinc sulfide coordination polymer.

Abstract

The title compound, [Zn{sub 4}(C{sub 2}H{sub 2}N{sub 3}){sub 3}(NCS){sub 3}S]{sub n}, is a three-dimensional coordination polymer consisting of tetrahedral SZn{sub 4} clusters bridged by triazole ligands. In the tetrahedral unit, three Zn atoms are connected to six bridging triazolate ligands, whereas the fourth Zn atom (site symmetry 3m) is bonded to three terminal thiocyanate anions that protrude into the void space created by the Zn-triazolate network. The network prototype is simple cubic, but a strong distortion along a body diagonal and the imposition of a polar direction by the arrangement of the molecular constituents lead to the trigonal space group R3m. This study demonstrates the use of the 3-mercapto-1,2,4-triazole ligand as an effective source for sulfide ions in the synthesis of sulfide-based coordination polymers.

Authors:
; ; ; ;
Publication Date:
Research Org.:
Argonne National Lab. (ANL), Argonne, IL (United States)
Sponsoring Org.:
USDOE Office of Science (SC)
OSTI Identifier:
988134
Report Number(s):
ANL/MSD/JA-62424
Journal ID: 0108-2701; TRN: US201018%%135
DOE Contract Number:  
DE-AC02-06CH11357
Resource Type:
Journal Article
Resource Relation:
Journal Name: Acta Crystallogr. C; Journal Volume: 64; Journal Issue: 2008
Country of Publication:
United States
Language:
ENGLISH
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; POLYMERS; ZINC SULFIDES; SYMMETRY; SYNTHESIS; THIOCYANATES; TRIAZOLES; ORGANOMETALLIC COMPOUNDS; MOLECULAR STRUCTURE

Citation Formats

Park, H., Geiser, U., Halder, G. J., Schlueter, J. A., and Materials Science Division. Poly[{mu}{sub 4}-sulfido-tris(thiocyanato-{kappa}N)-tris({mu}{sub 3}-1,2,4-triazolato-{kappa}{sup 3}N{sup 1}:N{sup 2}:N{sup 4})-tetrazinc(II)] : a three-dimensional zinc sulfide coordination polymer.. United States: N. p., 2008. Web. doi:10.1107/S0108270108027327.
Park, H., Geiser, U., Halder, G. J., Schlueter, J. A., & Materials Science Division. Poly[{mu}{sub 4}-sulfido-tris(thiocyanato-{kappa}N)-tris({mu}{sub 3}-1,2,4-triazolato-{kappa}{sup 3}N{sup 1}:N{sup 2}:N{sup 4})-tetrazinc(II)] : a three-dimensional zinc sulfide coordination polymer.. United States. doi:10.1107/S0108270108027327.
Park, H., Geiser, U., Halder, G. J., Schlueter, J. A., and Materials Science Division. Tue . "Poly[{mu}{sub 4}-sulfido-tris(thiocyanato-{kappa}N)-tris({mu}{sub 3}-1,2,4-triazolato-{kappa}{sup 3}N{sup 1}:N{sup 2}:N{sup 4})-tetrazinc(II)] : a three-dimensional zinc sulfide coordination polymer.". United States. doi:10.1107/S0108270108027327.
@article{osti_988134,
title = {Poly[{mu}{sub 4}-sulfido-tris(thiocyanato-{kappa}N)-tris({mu}{sub 3}-1,2,4-triazolato-{kappa}{sup 3}N{sup 1}:N{sup 2}:N{sup 4})-tetrazinc(II)] : a three-dimensional zinc sulfide coordination polymer.},
author = {Park, H. and Geiser, U. and Halder, G. J. and Schlueter, J. A. and Materials Science Division},
abstractNote = {The title compound, [Zn{sub 4}(C{sub 2}H{sub 2}N{sub 3}){sub 3}(NCS){sub 3}S]{sub n}, is a three-dimensional coordination polymer consisting of tetrahedral SZn{sub 4} clusters bridged by triazole ligands. In the tetrahedral unit, three Zn atoms are connected to six bridging triazolate ligands, whereas the fourth Zn atom (site symmetry 3m) is bonded to three terminal thiocyanate anions that protrude into the void space created by the Zn-triazolate network. The network prototype is simple cubic, but a strong distortion along a body diagonal and the imposition of a polar direction by the arrangement of the molecular constituents lead to the trigonal space group R3m. This study demonstrates the use of the 3-mercapto-1,2,4-triazole ligand as an effective source for sulfide ions in the synthesis of sulfide-based coordination polymers.},
doi = {10.1107/S0108270108027327},
journal = {Acta Crystallogr. C},
number = 2008,
volume = 64,
place = {United States},
year = {Tue Jan 01 00:00:00 EST 2008},
month = {Tue Jan 01 00:00:00 EST 2008}
}