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Volume 69 
Part 5 
Pages m265-m266  
May 2013  

Received 5 April 2013
Accepted 7 April 2013
Online 13 April 2013

Key indicators
Single-crystal X-ray study
T = 293 K
Mean [sigma](N-N) = 0.005 Å
R = 0.029
wR = 0.070
Data-to-parameter ratio = 20.0
Details
Open access

catena-Poly[silver(I)-bis[[mu]-4-methyl-1H-1,2,4-triazole-3(4H)-thione-[kappa]2S:S]-silver(I)-di-[mu]-thiocyanato-[kappa]2S:N;[kappa]2N:S]

aDepartment of Chemistry and Center of Excellence for Innovation in Chemistry, Faculty of Science, Prince of Songkla University, Hat Yai, Songkhla 90112, Thailand
Correspondence e-mail: saowanit.sa@psu.ac.th

In the title one-dimensional coordination polymer, [Ag2(NCS)2(C3H5N3S)2]n, the AgI atom adopts a distorted tetrahedral AgNS3 geometry. Adjacent AgI atoms in the [001] chain are alternately linked by pairs of bridging 4-methyl-1H-1,2,4-triazole-3(4H)-thione (Hmptrz) ligands (via their S atoms) and double thiocyanate bridges linking through both S and N atoms ([mu]-1,3-SCN). An intrachain N-H...N hydrogen bond occurs between the NH group of the triazole ring and the N atom of the thiocyanate bridging ligand. A (101) sheet structure arises from interchain S...N short contacts [3.239 (3) Å] involving the thiocyanate S atom and the triazole-ring N atom and possible very weak [pi]-[pi] stacking [centroid-centroid separation = 4.0762 (18) Å] between the triazole rings.

Related literature

For examples of complexes with multifunctional ligand donors, see: Zhang et al.(2009[Zhang, W., Ye, H.-Y. & Xiong, R.-G. (2009). Coord. Chem. Rev. 253, 2980-2997.]); Wang et al. (2011[Wang, Y.-L., Zhang, N., Liu, Q.-Y., Shan, Z.-M., Cao, R., Wang, M.-S., Luo, J.-J. & Yang, E.-L. (2011). Cryst. Growth Des. 11, 130-138.]). For background to complexes containing derivatives of the 1,2,4-triazole ligand, see: Zhang et al. (1999[Zhang, H., Wang, X., Zhang, K. & Teo, B. K. (1999). Coord. Chem. Rev. 183, 157-195.]); Jiang et al. (2011[Jiang, Y.-L., Wang, Y.-L., Lin, J.-X., Liu, Q.-Y., Lu, Z.-H., Zhang, N., Wei, J.-J. & Li, L.-Q. (2011). CrystEngComm, 13, 1697-1706.]). For the thiocyanate bridging ligand, end-to-end mode, see: Vicente et al. (1997[Vicente, R., Escuer, A., Penalba, E., Solans, X. & Bardia, M. F. (1997). Inorg. Chim. Acta, 255 :, 7-12.]); Chen et al. (1999[Chen, H.-J., Yang, G. & Chen, X.-M. (1999). Acta Cryst. C55, 2012-2014.]); Diaz et al. (1999[Diaz, C., Ribas, J., Sanz, N., Solans, X. & Font-Bardi'a, M. (1999). Inorg. Chim. Acta, 286, 169-174.]); Goher et al. (2000[Goher, M. A. S., Yang, Q.-C. & Mak, T. C. W. (2000). Polyhedron, 19, 615-621.]); Song et al. (2000[Song, Y., Zhu, D.-R., Zhang, K.-L., Xu, Y., Duan, C.-Y. & You, X.-Z. (2000). Polyhedron, 19, 1461-1464.]); Cai et al. (2007[Cai, H., Guo, Y., Li, Y. & Li, J.-G. (2007). Acta Cryst. E63, m936-m938.]); Saithong et al. (2007[Saithong, S., Pakawatchai, C. & Charmant, J. P. H. (2007). Acta Cryst. E63, m857-m858.]).

[Scheme 1]

Experimental

Crystal data
  • [Ag2(NCS)2(C3H5N3S)2]

  • Mr = 562.22

  • Triclinic, [P \overline 1]

  • a = 7.4842 (6) Å

  • b = 7.5420 (6) Å

  • c = 8.4262 (7) Å

  • [alpha] = 79.985 (2)°

  • [beta] = 84.329 (2)°

  • [gamma] = 64.508 (1)°

  • V = 422.62 (6) Å3

  • Z = 1

  • Mo K[alpha] radiation

  • [mu] = 2.82 mm-1

  • T = 293 K

  • 0.31 × 0.12 × 0.05 mm

Data collection
  • Bruker APEX CCD diffractometer

  • Absorption correction: multi-scan (SADABS; Bruker, 2003[Bruker (2003). SMART, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]) Tmin = 0.682, Tmax = 0.879

  • 5887 measured reflections

  • 2083 independent reflections

  • 1904 reflections with I > 2[sigma](I)

  • Rint = 0.026

Refinement
  • R[F2 > 2[sigma](F2)] = 0.029

  • wR(F2) = 0.070

  • S = 1.05

  • 2083 reflections

  • 104 parameters

  • 1 restraint

  • H atoms treated by a mixture of independent and constrained refinement

  • [Delta][rho]max = 0.79 e Å-3

  • [Delta][rho]min = -0.63 e Å-3

Table 1
Selected bond lengths (Å)

Ag1-N4i 2.354 (3)
Ag1-S2 2.4987 (8)
Ag1-S1 2.5554 (8)
Ag1-S1ii 2.6688 (8)
Symmetry codes: (i) -x+1, -y, -z+1; (ii) -x+1, -y, -z.

Table 2
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
N1-H1...N4i 0.86 (2) 2.10 (2) 2.954 (4) 171 (3)
Symmetry code: (i) -x+1, -y, -z+1.

Data collection: SMART (Bruker, 2003[Bruker (2003). SMART, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 2003[Bruker (2003). SMART, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); molecular graphics: Mercury (Macrae et al., 2008[Macrae, C. F., Bruno, I. J., Chisholm, J. A., Edgington, P. R., McCabe, P., Pidcock, E., Rodriguez-Monge, L., Taylor, R., van de Streek, J. & Wood, P. A. (2008). J. Appl. Cryst. 41, 466-470.]); software used to prepare material for publication: SHELXTL (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]), PLATON (Spek, 2009[Spek, A. L. (2009). Acta Cryst. D65, 148-155.]) and publCIF (Westrip, 2010[Westrip, S. P. (2010). J. Appl. Cryst. 43, 920-925.]).


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: HB7066 ).


Acknowledgements

Financial support from the Center of Excellent for Innovation in Chemistry (PERCH-CIC), Office of the Higher Education Commission, Ministry of Education, and Graduate School, Prince of Songkla University, are gratefully acknowledge.

References

Bruker (2003). SMART, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.
Cai, H., Guo, Y., Li, Y. & Li, J.-G. (2007). Acta Cryst. E63, m936-m938.  [CSD] [CrossRef] [ChemPort] [details]
Chen, H.-J., Yang, G. & Chen, X.-M. (1999). Acta Cryst. C55, 2012-2014.  [CSD] [CrossRef] [details]
Diaz, C., Ribas, J., Sanz, N., Solans, X. & Font-Bardi'a, M. (1999). Inorg. Chim. Acta, 286, 169-174.  [ISI] [CSD] [CrossRef] [ChemPort]
Goher, M. A. S., Yang, Q.-C. & Mak, T. C. W. (2000). Polyhedron, 19, 615-621.  [ISI] [CSD] [CrossRef] [ChemPort]
Jiang, Y.-L., Wang, Y.-L., Lin, J.-X., Liu, Q.-Y., Lu, Z.-H., Zhang, N., Wei, J.-J. & Li, L.-Q. (2011). CrystEngComm, 13, 1697-1706.  [ISI] [CSD] [CrossRef] [ChemPort]
Macrae, C. F., Bruno, I. J., Chisholm, J. A., Edgington, P. R., McCabe, P., Pidcock, E., Rodriguez-Monge, L., Taylor, R., van de Streek, J. & Wood, P. A. (2008). J. Appl. Cryst. 41, 466-470.  [ISI] [CrossRef] [ChemPort] [details]
Saithong, S., Pakawatchai, C. & Charmant, J. P. H. (2007). Acta Cryst. E63, m857-m858.  [CSD] [CrossRef] [ChemPort] [details]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [ChemPort] [details]
Song, Y., Zhu, D.-R., Zhang, K.-L., Xu, Y., Duan, C.-Y. & You, X.-Z. (2000). Polyhedron, 19, 1461-1464.  [ISI] [CSD] [CrossRef] [ChemPort]
Spek, A. L. (2009). Acta Cryst. D65, 148-155.  [ISI] [CrossRef] [ChemPort] [details]
Vicente, R., Escuer, A., Penalba, E., Solans, X. & Bardia, M. F. (1997). Inorg. Chim. Acta, 255 :, 7-12.
Wang, Y.-L., Zhang, N., Liu, Q.-Y., Shan, Z.-M., Cao, R., Wang, M.-S., Luo, J.-J. & Yang, E.-L. (2011). Cryst. Growth Des. 11, 130-138.  [CSD] [CrossRef] [ChemPort]
Westrip, S. P. (2010). J. Appl. Cryst. 43, 920-925.  [ISI] [CrossRef] [ChemPort] [details]
Zhang, H., Wang, X., Zhang, K. & Teo, B. K. (1999). Coord. Chem. Rev. 183, 157-195.  [ISI] [CrossRef] [ChemPort]
Zhang, W., Ye, H.-Y. & Xiong, R.-G. (2009). Coord. Chem. Rev. 253, 2980-2997.  [ISI] [CrossRef] [ChemPort]


Acta Cryst (2013). E69, m265-m266   [ doi:10.1107/S160053681300946X ]

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