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Volume 69 
Part 1 
Page m19  
January 2013  

Received 5 November 2012
Accepted 2 December 2012
Online 8 December 2012

Key indicators
Single-crystal X-ray study
T = 298 K
Mean [sigma](C-C) = 0.005 Å
R = 0.037
wR = 0.105
Data-to-parameter ratio = 12.8
Details
Open access

Tetrakis[[mu]-2-(methoxycarbonyl)benzoato-[kappa]2O1:O1']bis[(acetonitrile-[kappa]N)copper(II)](Cu-Cu)

aDepartment of Chemistry, Changzhi University, Changzhi, Shanxi 046011, People's Republic of China, and bInstitute of Molecular Science, Shanxi University, Taiyuan, Shanxi 030006, People's Republic of China
Correspondence e-mail: jlwangczu@163.com

In the binuclear copper(II) title complex, [Cu2(C9H7O4)4(C2H3N)2], an inversion centre is situtated at the mid-point of the Cu-Cu bond. The CuII atom together with its four coordinated O atoms are in a distorted planar square arrangement while the nitrogen and the other CuII atom are located in apical positions. The whole molecule looks like a paddle-wheel. In the crystal, chains are assembled along the b axis through C-H...O hydrogen bonds and slipped [pi]-[pi] interactions between the benzene rings of neighbouring molecules [centroid-centroid distance = 3.6929 (3) Å and slippage = 0.641 (1) Å].

Related literature

For a review on related binuclear CuII carboxylato compounds with subnormal magnetic moments, see: Kato et al. (1964[Kato, M., Jonassen, H. B. & Fanning, J. C. (1964). Chem. Rev. 64, 99-128.]). For the electrochemical behavior of related compounds, see: Reinhard et al. (2003[Reinhard, P., Stefan, L., Carsten, T., Michael, A. O. & Ekkehard, S. (2003). Inorg. Chem. 42, 8230-8240.]). For the synthesis of related compounds, see: Liu et al. (2008[Liu, T.-H., Huang, L., Chen, F.-J., Xi, P.-X., Xu, Z.-H., Xu, M. & Zeng, Z.-Z. (2008). Anal. Sci. 24, x303-x304.]).

[Scheme 1]

Experimental

Crystal data
  • [Cu2(C9H7O4)4(C2H3N)2]

  • Mr = 925.77

  • Triclinic, [P \overline 1]

  • a = 8.2332 (10) Å

  • b = 10.5730 (13) Å

  • c = 12.6673 (15) Å

  • [alpha] = 104.774 (1)°

  • [beta] = 108.061 (2)°

  • [gamma] = 91.152 (1)°

  • V = 1007.8 (2) Å3

  • Z = 1

  • Mo K[alpha] radiation

  • [mu] = 1.13 mm-1

  • T = 298 K

  • 0.41 × 0.30 × 0.27 mm

Data collection
  • Bruker SMART CCD area-detector diffractometer

  • Absorption correction: multi-scan (SADABS; Bruker, 2001[Bruker (2001). SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]) Tmin = 0.654, Tmax = 0.750

  • 5143 measured reflections

  • 3466 independent reflections

  • 2906 reflections with I > 2[sigma](I)

  • Rint = 0.022

Refinement
  • R[F2 > 2[sigma](F2)] = 0.037

  • wR(F2) = 0.105

  • S = 1.07

  • 3466 reflections

  • 271 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 0.55 e Å-3

  • [Delta][rho]min = -0.32 e Å-3

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
C5-H5...O5i 0.93 2.51 3.379 (4) 156
Symmetry code: (i) -x+1, -y, -z+1.

Data collection: SMART (Bruker, 1999[Bruker (1999). SMART and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 1999[Bruker (1999). SMART and SAINT. 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: 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: LR2089 ).


Acknowledgements

The authors thank the National Natural Science Foundation of the People's Republic of China (grant No. 21201024), the Natural Science Foundation of Shanxi Province (grant No. 2012021009-1), and the Scientific Research Foundation for PhDs of Changzhi University.

References

Bruker (1999). SMART and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.
Bruker (2001). SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.
Kato, M., Jonassen, H. B. & Fanning, J. C. (1964). Chem. Rev. 64, 99-128.  [CrossRef] [ChemPort] [ISI]
Liu, T.-H., Huang, L., Chen, F.-J., Xi, P.-X., Xu, Z.-H., Xu, M. & Zeng, Z.-Z. (2008). Anal. Sci. 24, x303-x304.
Reinhard, P., Stefan, L., Carsten, T., Michael, A. O. & Ekkehard, S. (2003). Inorg. Chem. 42, 8230-8240.  [ISI] [PubMed]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]


Acta Cryst (2013). E69, m19  [ doi:10.1107/S1600536812049410 ]

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