[Journal logo]

Volume 69 
Part 11 
Page m618  
November 2013  

Received 10 September 2013
Accepted 15 October 2013
Online 23 October 2013

Key indicators
Single-crystal X-ray study
T = 298 K
Mean [sigma](S-C) = 0.007 Å
R = 0.047
wR = 0.104
Data-to-parameter ratio = 31.5
Details
Open access

Hexa­kis­(dimethyl sulfoxide-[kappa]O)zinc(II) poly­iodide

aDepartamento de Química, Universidad Nacional de Colombia, Ciudad Universitaria, Bogotá Kr 30 No 45-03, Colombia, and bDepartment of Chemistry, Purdue University, W. Lafayette, IN 47907, USA
Correspondence e-mail: aduarter@unal.edu.co

The title compound, [Zn{(CH3)2SO}6]I4, is a one-dimensional supra­molecular polymer along a threefold rotation axis of the space group. It is built up from discrete [Zn{(CH3)2SO}6]2+ units connected through non-classical hydrogen bonds to linear I42- polyiodide anions (C-H...I = 3.168 Å). The ZnII ion in the cation has an octa­hedral coordination geometry, with all six Zn-O bond lengths being equivalent, at 2.111 (4) Å. The linear polyiodide anion contains a neutral I2 mol­ecule weakly coordinated to two iodide ions.

Related literature

For related structures, see Garzón-Tovar et al. (2013[Garzón-Tovar, L., Duarte-Ruiz, A. & Wurst, K. (2013). Inorg. Chem. Commun. 32, 64-67.]); Long et al. (1999[Long, D.-L., Hu, H.-M., Chen, J.-T. & Huang, J.-S. (1999). Acta Cryst. C55, 339-341.]); Tkachev et al. (1994[Tkachev, V. V., Lavrent'eva, E. A., Rosschupkina, O. S., Lavrent'ev, I. P. & Atovmyan, L. O. (1994). Koord. Khim. 20, 674-676.]). For supra­molecular polymers formed by non-classical hydrogen bonds, see: Fromm (2001[Fromm, K. M. (2001). Chem. Eur. J. 7, 2236-2244.]); Huang & Scherman (2012[Huang, F. & Scherman, O. A. (2012). Chem. Soc. Rev. 41, 5879-5880.]); Youm et al. (2006[Youm, K.-T., Ko, J. & Jun, M.-J. (2006). Polyhedron, 25, 2717-2720.]). For polyiodide compounds, see: Svensson & Kloo (2003[Svensson, P. H. & Kloo, L. (2003). Chem. Rev. 103, 1649-1684.]).

[Scheme 1]

Experimental

Crystal data
  • [Zn(C2H6OS)6]I4

  • Mr = 1041.79

  • Triggonal, [R \overline 3]

  • a = 11.8399 (7) Å

  • c = 19.7110 (12) Å

  • V = 2393.0 (2) Å3

  • Z = 3

  • Mo K[alpha] radiation

  • [mu] = 5.06 mm-1

  • T = 298 K

  • 0.60 × 0.40 × 0.40 mm

Data collection
  • Nonius KappaCCD diffractometer

  • Absorption correction: multi-scan (SCALEPACK; Otwinowski & Minor, 1997[Otwinowski, Z. & Minor, W. (1997). Methods in Enzymology, Vol. 276, Macromolecular Crystallography, Part A, edited by C. W. Carter Jr & R. M. Sweet, pp. 307-326. New York: Academic Press.]) Tmin = 0.126, Tmax = 0.132

  • 3127 measured reflections

  • 1512 independent reflections

  • 1251 reflections with > 2.0[sigma](I)

  • Rint = 0.036

Refinement
  • R[F2 > 2[sigma](F2)] = 0.047

  • wR(F2) = 0.104

  • S = 1.17

  • 1512 reflections

  • 48 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 1.00 e Å-3

  • [Delta][rho]min = -1.23 e Å-3

Data collection: COLLECT (Nonius, 1998[Nonius (1998). COLLECT. Enraf-Nonius, Delft, The Netherlands.]); cell refinement: DENZO/SCALEPACK (Otwinowski & Minor, 1997[Otwinowski, Z. & Minor, W. (1997). Methods in Enzymology, Vol. 276, Macromolecular Crystallography, Part A, edited by C. W. Carter Jr & R. M. Sweet, pp. 307-326. New York: Academic Press.]); data reduction: DENZO/SCALEPACK; 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: SHELXL97 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: FJ2643 ).


Acknowledgements

We would like to acknowledge the financial support given by the Universidad Nacional de Colombia, Bogotá.

References

Fromm, K. M. (2001). Chem. Eur. J. 7, 2236-2244.  [CrossRef] [PubMed] [ChemPort]
Garzón-Tovar, L., Duarte-Ruiz, A. & Wurst, K. (2013). Inorg. Chem. Commun. 32, 64-67.
Huang, F. & Scherman, O. A. (2012). Chem. Soc. Rev. 41, 5879-5880.  [Web of Science] [CrossRef] [ChemPort] [PubMed]
Long, D.-L., Hu, H.-M., Chen, J.-T. & Huang, J.-S. (1999). Acta Cryst. C55, 339-341.  [CSD] [CrossRef] [IUCr Journals]
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.  [Web of Science] [CrossRef] [ChemPort] [IUCr Journals]
Nonius (1998). COLLECT. Enraf-Nonius, Delft, The Netherlands.
Otwinowski, Z. & Minor, W. (1997). Methods in Enzymology, Vol. 276, Macromolecular Crystallography, Part A, edited by C. W. Carter Jr & R. M. Sweet, pp. 307-326. New York: Academic Press.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [ChemPort] [IUCr Journals]
Svensson, P. H. & Kloo, L. (2003). Chem. Rev. 103, 1649-1684.  [Web of Science] [CrossRef] [PubMed] [ChemPort]
Tkachev, V. V., Lavrent'eva, E. A., Rosschupkina, O. S., Lavrent'ev, I. P. & Atovmyan, L. O. (1994). Koord. Khim. 20, 674-676.  [ChemPort]
Westrip, S. P. (2010). J. Appl. Cryst. 43, 920-925.  [Web of Science] [CrossRef] [ChemPort] [IUCr Journals]
Youm, K.-T., Ko, J. & Jun, M.-J. (2006). Polyhedron, 25, 2717-2720.  [Web of Science] [CSD] [CrossRef] [ChemPort]


Acta Cryst (2013). E69, m618  [ doi:10.1107/S1600536813028377 ]

This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.