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Volume 65 
Part 3 
Page m319  
March 2009  

Received 19 February 2009
Accepted 20 February 2009
Online 25 February 2009

Key indicators
Single-crystal X-ray study
T = 293 K
Mean [sigma](N-C) = 0.005 Å
R = 0.050
wR = 0.141
Data-to-parameter ratio = 22.8
Details
Open access

Bis([mu]-N,N-dimethyldithiocarbamato-[kappa]3S,S':S)bis[(N,N-dimethyldithiocarbamato-[kappa]2S,S')copper(II)]

aInstitute of Materials Physical Chemistry and the Key Laboratory for Functional Materials of Fujian Higher Education, Huaqiao University, Quanzhou, Fujian 362021, People's Republic of China
Correspondence e-mail: lqfan@hqu.edu.cn

In the centrosymmetric dimeric title compound, [Cu2(C3H6NS2)4], the CuII atom is five-coordinate in a square-pyramidal environment. The basal coordination positions are occupied by four S atoms from two dimethyldithiocarbamate ligands and the apical coordination position is occupied by an S atom also bonded to the other Cu atom.

Related literature

For the structural diversity and potential applications of transition metal complexes, see: Noro et al. (2000[Noro, S., Kitagawa, S., Kondo, M. & Seki, K. (2000). Angew. Chem. Int. Ed. 39, 2081-2084.]); Yaghi et al. (1998[Yaghi, O. M., Li, H., Davis, C., Richardson, D. & Groy, T. L. (1998). Acc. Chem. Res. 31, 474-484.]). For dialkyldithiocarbamates anions acting as monodentate, bidentate or bridging ligands, see: Engelhardt et al. (1988[Engelhardt, L. M., Healy, P. C., Shephard, R. M., Skelton, B. W. & White, A. H. (1988). Inorg. Chem. 27, 2371-2373.]); Fernández et al. (2000[Fernández, E. J., López-de-Luzuriaga, J. M., Monge, M., Olmos, E., Laguna, A., Villacampa, M. D. & Jones, P. G. (2000). J. Cluster Sci. 11, 153-166.]); Koh et al. (2003[Koh, Y. W., Lai, C. S., Du, A. Y., Tiekink, E. R. T. & Loh, K. P. (2003). Chem. Mater. 15, 4544-4554.]).

[Scheme 1]

Experimental

Crystal data
  • [Cu2(C3H6NS2)4]

  • Mr = 607.91

  • Monoclinic, C 2/c

  • a = 8.068 (3) Å

  • b = 19.446 (7) Å

  • c = 15.108 (6) Å

  • [beta] = 99.354 (6)°

  • V = 2338.7 (15) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 2.54 mm-1

  • T = 293 K

  • 0.25 × 0.20 × 0.15 mm

Data collection
  • Rigaku Mercury CCD diffractometer

  • Absorption correction: multi-scan (CrystalClear; Rigaku, 2007[Rigaku (2007). CrystalClear. Rigaku Corporation, Tokyo, Japan.]) Tmin = 0.807, Tmax = 1.000 (expected range = 0.552-0.683)

  • 9796 measured reflections

  • 2685 independent reflections

  • 2423 reflections with I > 2[sigma](I)

  • Rint = 0.048

Refinement
  • R[F2 > 2[sigma](F2)] = 0.050

  • wR(F2) = 0.141

  • S = 1.07

  • 2685 reflections

  • 118 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 0.44 e Å-3

  • [Delta][rho]min = -0.58 e Å-3

Table 1
Selected bond lengths (Å)

Cu1-S3 2.3072 (13)
Cu1-S4 2.3208 (13)
Cu1-S1 2.3240 (13)
Cu1-S2 2.3278 (13)
Cu1-S1i 2.8258 (14)
Symmetry code: (i) [-x+1, y, -z+{\script{1\over 2}}].

Data collection: CrystalClear (Rigaku, 2007[Rigaku (2007). CrystalClear. Rigaku Corporation, Tokyo, Japan.]); cell refinement: CrystalClear; data reduction: CrystalClear; 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: SHELXTL (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); software used to prepare material for publication: SHELXTL.


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: NG2548 ).


Acknowledgements

This work was supported financially by the Research Fund of Huaqiao University (No. 06BS216) and the Young Talent Fund of Fujian Province (No. 2007 F3060).

References

Engelhardt, L. M., Healy, P. C., Shephard, R. M., Skelton, B. W. & White, A. H. (1988). Inorg. Chem. 27, 2371-2373.  [CrossRef] [ChemPort] [ISI]
Fernández, E. J., López-de-Luzuriaga, J. M., Monge, M., Olmos, E., Laguna, A., Villacampa, M. D. & Jones, P. G. (2000). J. Cluster Sci. 11, 153-166.  [ISI] [CSD] [CrossRef] [ChemPort]
Koh, Y. W., Lai, C. S., Du, A. Y., Tiekink, E. R. T. & Loh, K. P. (2003). Chem. Mater. 15, 4544-4554.  [ISI] [CSD] [CrossRef] [ChemPort]
Noro, S., Kitagawa, S., Kondo, M. & Seki, K. (2000). Angew. Chem. Int. Ed. 39, 2081-2084.  [CrossRef]
Rigaku (2007). CrystalClear. Rigaku Corporation, Tokyo, Japan.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Yaghi, O. M., Li, H., Davis, C., Richardson, D. & Groy, T. L. (1998). Acc. Chem. Res. 31, 474-484.  [ISI] [CrossRef] [ChemPort]


Acta Cryst (2009). E65, m319  [ doi:10.1107/S1600536809006230 ]

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