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Volume 69 
Part 9 
Page i59  
September 2013  

Received 1 August 2013
Accepted 10 August 2013
Online 17 August 2013

Key indicators
Single-crystal X-ray study
T = 293 K
Mean [sigma](N-C) = 0.007 Å
R = 0.026
wR = 0.053
Data-to-parameter ratio = 37.7
Details
Open access

Zinc mercury(II) tetrakis(selenocyanate)

aSchool of Materials Science and Engineering, Shandong University of Science and Technology, Qingdao 266590, People's Republic of China, and bState Key Laboratory of Crystal Materials (Shandong University), Jinan 250100, People's Republic of China
Correspondence e-mail: sunhaiqing@sina.com

The title crystal, [HgZn(NCSe)4]n, a coordination polymer, has a diamond-like network. In the crystal, the metal ions, Zn2+ and Hg2+, are both located on fourfold inversion axes and mimic the role of C atoms in the structure of diamond, and the linear selenocyanate bridges replace the C-C bonds. The C-N-Zn unit is almost linear and the C-Se-Hg unit is nearly a right angle. Thus, the HgZn4 (or ZnHg4) arrangement is midway between a tetrahedron and a square plane, with two types of Hg-Zn-Hg (or Zn-Hg-Zn) angles of 92.38 (6) and 156.45 (6)°.

Related literature

For background to coordination polymers, see: Batten et al. (2009[Batten, S. R., Neville, S. M. & Turner, D. R. (2009). In Coordination Polymers: Design, Analysis and Application. Cambridge: Royal Society of Chemistry.]). For diamond-like networks, see: Sun et al. (2006[Sun, H.-Q., Yu, W.-T., Yuan, D.-R., Wang, X.-Q. & Liu, L.-Q. (2006). Acta Cryst. E62, i88-i90.]); Evans et al. (1999[Evans, O. R., Xiong, R.-G., Wang, Z.-Y., Wong, G.-K. & Lin, W.-B. (1999). Angew. Chem. Int. Ed. 38, 536-538.]). For similar structures, see: Wang et al. (2001[Wang, X.-Q., Xu, D., Lu, M.-K., Yuan, D.-R., Zhang, G.-H., Meng, F.-Q., Guo, S.-Y., Zhou, M., Liu, J.-R. & Li, X.-R. (2001). Cryst. Res. Technol. 36, 73-84.], 2007[Wang, X.-Q., Yu, W.-T., Xu, D., Sun, H.-Q. & Liu, W.-L. (2007). Acta Cryst. E63, i45-i46.]); Sun et al. (2005[Sun, H.-Q., Yu, W.-T., Yuan, D.-R., Wang, X.-Q. & Xue, G. (2005). Acta Cryst. E61, i111-i112.], 2006[Sun, H.-Q., Yu, W.-T., Yuan, D.-R., Wang, X.-Q. & Liu, L.-Q. (2006). Acta Cryst. E62, i88-i90.]); Tian et al. (1999[Tian, Y.-P., Yu, W.-T., Fang, Q., Wang, X.-Q., Yuan, D.-R., Xu, D. & Jiang, M.-H. (1999). Acta Cryst. C55, 1393-1395.]); Xu et al. (1999[Xu, D., Yu, W.-T., Wang, X.-Q., Yuan, D.-R., Lu, M.-K., Yang, P., Guo, S.-Y., Meng, F.-Q. & Jiang, M.-H. (1999). Acta Cryst. C55, 1203-1205.]); Yan et al. (1999[Yan, Y.-X., Fang, Q., Yuan, D.-R., Tian, Y.-P., Liu, Z., Wang, X.-M., Jiang, M.-H., Williams, D., Siu, A. & Cai, Z.-G. (1999). Chin. Chem. Lett. 10, 257-260.]); Yuan et al. (1997[Yuan, D.-R., Xu, D., Fang, Q., Yu, W.-T. & Jiang, M.-H. (1997). Appl. Phys. Lett. 70, 544-546.]).

Experimental

Crystal data
  • [HgZn(NCSe)4]

  • Mr = 685.88

  • Tetragonal, [I \overline 4]

  • a = 11.2716 (1) Å

  • c = 4.6981 (1) Å

  • V = 596.89 (2) Å3

  • Z = 2

  • Mo K[alpha] radiation

  • [mu] = 27.02 mm-1

  • T = 293 K

  • 0.13 × 0.12 × 0.10 mm

Data collection
  • Bruker APEXII CCD area-detector diffractometer

  • Absorption correction: multi-scan (APEX2; Bruker, 2005[Bruker (2005). APEX2and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]) Tmin = 0.127, Tmax = 0.173

  • 2476 measured reflections

  • 1244 independent reflections

  • 1113 reflections with I > 2[sigma](I)

  • Rint = 0.029

Refinement
  • R[F2 > 2[sigma](F2)] = 0.026

  • wR(F2) = 0.053

  • S = 0.86

  • 1244 reflections

  • 33 parameters

  • [Delta][rho]max = 1.35 e Å-3

  • [Delta][rho]min = -0.81 e Å-3

  • Absolute structure: Flack (1983[Flack, H. D. (1983). Acta Cryst. A39, 876-881.]), 467 Friedel pairs

  • Absolute structure parameter: 0.026 (10)

Data collection: APEX2 (Bruker, 2005[Bruker (2005). APEX2and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 2005[Bruker (2005). APEX2and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]); data reduction: SAINT; program(s) used to solve structure: SIR97 (Altomare et al., 1999[Altomare, A., Burla, M. C., Camalli, M., Cascarano, G. L., Giacovazzo, C., Guagliardi, A., Moliterni, A. G. G., Polidori, G. & Spagna, R. (1999). J. Appl. Cryst. 32, 115-119.]); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); molecular graphics: SHELXTL (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); software used to prepare material for publication: WinGX (Farrugia, 2012[Farrugia, L. J. (2012). J. Appl. Cryst. 45, 849-854.]).


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: BR2230 ).


Acknowledgements

The authors thank the Open Project of the State Key Laboratory of Crystal Materials (grant No. KF0804) and the Excellent Mid-youthful Scientist Encouraging Foundation of Shandong province (grant No. BS2010CL037) for financial support.

References

Altomare, A., Burla, M. C., Camalli, M., Cascarano, G. L., Giacovazzo, C., Guagliardi, A., Moliterni, A. G. G., Polidori, G. & Spagna, R. (1999). J. Appl. Cryst. 32, 115-119.  [ISI] [CrossRef] [ChemPort] [details]
Batten, S. R., Neville, S. M. & Turner, D. R. (2009). In Coordination Polymers: Design, Analysis and Application. Cambridge: Royal Society of Chemistry.
Bruker (2005). APEX2and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.
Evans, O. R., Xiong, R.-G., Wang, Z.-Y., Wong, G.-K. & Lin, W.-B. (1999). Angew. Chem. Int. Ed. 38, 536-538.  [CrossRef] [ChemPort]
Farrugia, L. J. (2012). J. Appl. Cryst. 45, 849-854.  [ISI] [CrossRef] [ChemPort] [details]
Flack, H. D. (1983). Acta Cryst. A39, 876-881.  [CrossRef] [details]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [ChemPort] [details]
Sun, H.-Q., Yu, W.-T., Yuan, D.-R., Wang, X.-Q. & Liu, L.-Q. (2006). Acta Cryst. E62, i88-i90.  [CrossRef] [ChemPort] [details]
Sun, H.-Q., Yu, W.-T., Yuan, D.-R., Wang, X.-Q. & Xue, G. (2005). Acta Cryst. E61, i111-i112.  [CrossRef] [ChemPort] [details]
Tian, Y.-P., Yu, W.-T., Fang, Q., Wang, X.-Q., Yuan, D.-R., Xu, D. & Jiang, M.-H. (1999). Acta Cryst. C55, 1393-1395.  [CrossRef] [details]
Wang, X.-Q., Xu, D., Lu, M.-K., Yuan, D.-R., Zhang, G.-H., Meng, F.-Q., Guo, S.-Y., Zhou, M., Liu, J.-R. & Li, X.-R. (2001). Cryst. Res. Technol. 36, 73-84.  [ISI] [CrossRef]
Wang, X.-Q., Yu, W.-T., Xu, D., Sun, H.-Q. & Liu, W.-L. (2007). Acta Cryst. E63, i45-i46.  [CSD] [CrossRef] [ChemPort] [details]
Xu, D., Yu, W.-T., Wang, X.-Q., Yuan, D.-R., Lu, M.-K., Yang, P., Guo, S.-Y., Meng, F.-Q. & Jiang, M.-H. (1999). Acta Cryst. C55, 1203-1205.  [CrossRef] [details]
Yan, Y.-X., Fang, Q., Yuan, D.-R., Tian, Y.-P., Liu, Z., Wang, X.-M., Jiang, M.-H., Williams, D., Siu, A. & Cai, Z.-G. (1999). Chin. Chem. Lett. 10, 257-260.  [ChemPort]
Yuan, D.-R., Xu, D., Fang, Q., Yu, W.-T. & Jiang, M.-H. (1997). Appl. Phys. Lett. 70, 544-546.  [CrossRef] [ChemPort] [ISI]


Acta Cryst (2013). E69, i59  [ doi:10.1107/S1600536813022502 ]

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