Tetra­kis[μ-2-(meth­oxy­carbon­yl)benzoato-κ2O1:O1′]bis­[(acetonitrile-κN)copper(II)](Cu—Cu)

Wang, J.; Wang, C.; Wang, Z.; Yang, B.

doi:10.1107/S1600536812049410

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 (C-C) = 0.005 Å
R = 0.037
wR = 0.105
Data-to-parameter ratio = 12.8
Details

Tetrakis[-2-(methoxycarbonyl)benzoato-²O¹:O^1']bis[(acetonitrile-N)copper(II)](Cu-Cu)

Jing-lin Wang,^a ^* Cai-rong Wang,^a Zhi-jun Wang ^a and Bin-sheng Yang ^b

^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 Cu^II atom together with its four coordinated O atoms are in a distorted planar square arrangement while the nitrogen and the other Cu^II 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-HO 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 Cu^II carboxylato compounds with subnormal magnetic moments, see: Kato et al. (1964). For the electrochemical behavior of related compounds, see: Reinhard et al. (2003). For the synthesis of related compounds, see: Liu et al. (2008).

Experimental

Crystal data

[Cu₂(C₉H₇O₄)₄(C₂H₃N)₂]
M_r = 925.77
Triclinic, $[P \overline 1]$
a = 8.2332 (10) Å
b = 10.5730 (13) Å
c = 12.6673 (15) Å
= 104.774 (1)°
= 108.061 (2)°
= 91.152 (1)°
V = 1007.8 (2) Å³
Z = 1
Mo K radiation
= 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) T_min = 0.654, T_max = 0.750
5143 measured reflections
3466 independent reflections
2906 reflections with I > 2(I)
R_int = 0.022

Refinement

R[F² > 2(F²)] = 0.037
wR(F²) = 0.105
S = 1.07
3466 reflections
271 parameters
H-atom parameters constrained
_max = 0.55 e Å^-3
_min = -0.32 e Å^-3

Table 1
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
C5-H5O5ⁱ	0.93	2.51	3.379 (4)	156
Symmetry code: (i) -x+1, -y, -z+1.

Data collection: SMART (Bruker, 1999); cell refinement: SAINT (Bruker, 1999); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: SHELXTL (Sheldrick, 2008); 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.
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.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.

metal-organic compounds

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