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Volume 67 
Part 8 
Page m1143  
August 2011  

Received 8 July 2011
Accepted 17 July 2011
Online 23 July 2011

Key indicators
Single-crystal X-ray study
T = 296 K
Mean [sigma](C-C) = 0.003 Å
R = 0.024
wR = 0.062
Data-to-parameter ratio = 14.1
Details
Open access

Bis[1-(4-chlorobenzyl)pyridinium] bis(1,2,5-thiadiazole-3,4-dithiolato)nickelate(II)

aDepartment of Chemistry, Zhejiang University, Hangzhou, 310027, People's Republic of China, and bCollege of Biology and Environment Engineering, Zhejiang Shuren University, Hangzhou 310015, People's Republic of China
Correspondence e-mail: wangzm168@126.com

The asymmetric unit of the salt, (C12H11ClN)2[Ni(C2N2S3)2], comprises one cation and a half of Ni(tdas)2 (tdas = 1,2,5-thiadiazole-3,4-dithiolate) anion. The NiII atom is located at a centre of inversion. The NiII atom has a square-planar coordination with Ni-S distances of 2.2052 (4) and 2.1970 (5) Å. In crystal, weak C-H...S and C-H...Ni contacts are observed between the anions and cations.

Related literature

For background to complexes containing the [Ni(mnt)2] anion, see: Robertson & Cronin (2002[Robertson, N. & Cronin, L. (2002). Coord. Chem. Rev. 227, 93-127.]); Xie et al. (2002[Xie, J. L., Ren, X. M., Song, Y., Zhang, W. W., Liu, W. L., He, C. & Meng, Q. J. (2002). Chem. Commun. pp. 2346-2347.]); Ni et al. (2005[Ni, Z. P., Ren, X. M., Ma, J., Xie, J. L., Ni, C. L., Chen, Z. D. & Meng, Q. J. (2005). J. Am. Chem. Soc. 127, 14330-14338.]); Chen et al. (2010[Chen, X., Zou, H. L., Lin, J. H., Huang, Q., Zuo, H. R., Zhou, J. R., Ni, C. L. & Hu, X. L. (2010). J. Mol. Struct. 981, 139-145.]). For details of other square-planar [Ni(tdas)2] complexes, see: Awaga et al. (1994[Awaga, K., Okuno, T., Maruyama, Y., Kobayashi, A., Kobayashi, H., Schenk, S. & Underhill, A. E. (1994). Inorg. Chem. 33, 5598-5600.]); Yamochi et al. (2001[Yamochi, H., Sogoshi, N., Simizu, Y., Saito, G. & Matsumoto, K. (2001). J. Mater. Chem. 11, 2216-2220.]); Okuno et al. (2003[Okuno, T., Kuwamoto, K., Fujita, W., Awaga, K. & Nakanishi, W. (2003). Polyhedron, 22, 2311-2315.]); Ni et al. (2004[Ni, C. L., Dang, D. B., Ni, Z. P., Li, Y. Z., Xie, J. L., Meng, Q. J. & Yao, Y. G. (2004). J. Coord. Chem. 57, 1529-1536.]). For C-H...Ni contacts, see: Brookhart et al. (2007[Brookhart, M., Green, M. L. H. & Parkin, G. (2007). PNAS, 104, 6908-6914.]); Yang & Ni (2006[Yang, S.-B. & Ni, C.-L. (2006). Acta Cryst. E62, m483-m485.]).

[Scheme 1]

Experimental

Crystal data
  • (C12H11ClN)2[Ni(C2N2S3)2]

  • Mr = 764.49

  • Monoclinic, P 21 /c

  • a = 11.3091 (10) Å

  • b = 12.6699 (12) Å

  • c = 12.2405 (11) Å

  • [beta] = 116.005 (1)°

  • V = 1576.3 (2) Å3

  • Z = 2

  • Mo K[alpha] radiation

  • [mu] = 1.21 mm-1

  • T = 296 K

  • 0.22 × 0.17 × 0.11 mm

Data collection
  • Bruker SMART APEX CCD diffractometer

  • Absorption correction: multi-scan (SADABS; Sheldrick, 2004[Sheldrick, G. M. (2004). SADABS. University of Göttingen, Germany.]) Tmin = 0.788, Tmax = 0.872

  • 11011 measured reflections

  • 2771 independent reflections

  • 2583 reflections with I > 2[sigma](I)

  • Rint = 0.023

Refinement
  • R[F2 > 2[sigma](F2)] = 0.024

  • wR(F2) = 0.062

  • S = 1.03

  • 2771 reflections

  • 196 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 0.34 e Å-3

  • [Delta][rho]min = -0.34 e Å-3

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
C4-H4...S2i 0.93 2.86 3.765 (2) 163
C11-H11...S2ii 0.93 2.80 3.715 (2) 169
C9-H9B...Ni1iii 0.97 2.90 3.818 (3) 159
Symmetry codes: (i) x, y+1, z; (ii) [-x+1, y+{\script{1\over 2}}, -z+{\script{3\over 2}}]; (iii) [-x+2, y+{\script{1\over 2}}, -z+{\script{3\over 2}}].

Data collection: SMART (Bruker, 2000[Bruker (2000). SMART and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 2000[Bruker (2000). SMART and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]); data reduction: SAINT; program(s) used to solve structure: SHELXTL (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL.


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: KP2343 ).


Acknowledgements

This work was funded by the Zhejiang Natural Science Foundation (No. y4090430).

References

Awaga, K., Okuno, T., Maruyama, Y., Kobayashi, A., Kobayashi, H., Schenk, S. & Underhill, A. E. (1994). Inorg. Chem. 33, 5598-5600.  [CrossRef] [ChemPort] [ISI]
Brookhart, M., Green, M. L. H. & Parkin, G. (2007). PNAS, 104, 6908-6914.  [CrossRef] [ChemPort]
Bruker (2000). SMART and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.
Chen, X., Zou, H. L., Lin, J. H., Huang, Q., Zuo, H. R., Zhou, J. R., Ni, C. L. & Hu, X. L. (2010). J. Mol. Struct. 981, 139-145.  [ISI] [CSD] [CrossRef] [ChemPort]
Ni, C. L., Dang, D. B., Ni, Z. P., Li, Y. Z., Xie, J. L., Meng, Q. J. & Yao, Y. G. (2004). J. Coord. Chem. 57, 1529-1536.  [ISI] [CSD] [CrossRef] [ChemPort]
Ni, Z. P., Ren, X. M., Ma, J., Xie, J. L., Ni, C. L., Chen, Z. D. & Meng, Q. J. (2005). J. Am. Chem. Soc. 127, 14330-14338.  [ISI] [CrossRef] [PubMed] [ChemPort]
Okuno, T., Kuwamoto, K., Fujita, W., Awaga, K. & Nakanishi, W. (2003). Polyhedron, 22, 2311-2315.  [ISI] [CSD] [CrossRef] [ChemPort]
Robertson, N. & Cronin, L. (2002). Coord. Chem. Rev. 227, 93-127.  [ISI] [CrossRef] [ChemPort]
Sheldrick, G. M. (2004). SADABS. University of Göttingen, Germany.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Xie, J. L., Ren, X. M., Song, Y., Zhang, W. W., Liu, W. L., He, C. & Meng, Q. J. (2002). Chem. Commun. pp. 2346-2347.  [CSD] [CrossRef]
Yamochi, H., Sogoshi, N., Simizu, Y., Saito, G. & Matsumoto, K. (2001). J. Mater. Chem. 11, 2216-2220.  [ISI] [CSD] [CrossRef] [ChemPort]
Yang, S.-B. & Ni, C.-L. (2006). Acta Cryst. E62, m483-m485.  [CrossRef] [details]


Acta Cryst (2011). E67, m1143  [ doi:10.1107/S160053681102873X ]

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