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Volume 70 
Part 1 
Page m27  
January 2014  

Received 25 November 2013
Accepted 18 December 2013
Online 24 December 2013

Key indicators
Single-crystal X-ray study
T = 140 K
Mean [sigma](C-C) = 0.008 Å
R = 0.060
wR = 0.159
Data-to-parameter ratio = 13.2
Details
Open access

Tetra-[mu]-acetato-[kappa]8O:O'-bis­[(pyridine-2-carbo­nitrile-[kappa]N1)copper(II)]

aHefei University of Technology, Hefei, People's Republic of China
Correspondence e-mail: luomei@pku.edu.cn

The title binuclear compound, [Cu2(CH3COO)4(C6H4N2)2], lies about an inversion center, with the CuII cation bridged by four acetate anions and coordinated by a pyridine N atom in a distorted square-pyramidal geometry. The Cu...Cu distance is 2.5997 (15) Å. In the crystal, mol­ecules are linked by weak C-H...O and C-H...N hydrogen bonds into a three-dimensional supra­molecular architecture. The crystal studied was a non-merohedral twin with a minor twin component of 4.1 (1)%.

Related literature

For related binuclear compounds, see: Fairuz et al. (2010[Fairuz, Z. A., Aiyub, Z., Abdullah, Z., Ng, S. W. & Tiekink, E. R. T. (2010). Acta Cryst. E66, m1077-m1078.]); Chang et al. (2011[Chang, H.-C., Cole, J. M., Lin, T.-C. & Waddell, P. G. (2011). Acta Cryst. E67, m691.]).

[Scheme 1]

Experimental

Crystal data
  • [Cu2(C2H3O2)4(C6H4N2)2]

  • Mr = 571.48

  • Monoclinic, P 21 /c

  • a = 7.929 (5) Å

  • b = 19.817 (12) Å

  • c = 8.222 (5) Å

  • [beta] = 118.83 (2)°

  • V = 1131.8 (12) Å3

  • Z = 2

  • Mo K[alpha] radiation

  • [mu] = 1.93 mm-1

  • T = 140 K

  • 0.32 × 0.12 × 0.06 mm

Data collection
  • Bruker APEXII CCD diffractometer

  • Absorption correction: multi-scan (SADABS; Bruker, 2001[Bruker (2001). SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]) Tmin = 0.58, Tmax = 0.89

  • 7361 measured reflections

  • 2077 independent reflections

  • 1792 reflections with I > 2[sigma](I)

  • Rint = 0.165

Refinement
  • R[F2 > 2[sigma](F2)] = 0.060

  • wR(F2) = 0.159

  • S = 1.07

  • 2077 reflections

  • 157 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 0.89 e Å-3

  • [Delta][rho]min = -1.48 e Å-3

Table 1
Selected bond lengths (Å)

Cu1-O1 1.975 (4)
Cu1-O2i 1.980 (4)
Cu1-O3i 1.941 (4)
Cu1-O4 1.952 (4)
Cu1-N1 2.235 (4)
Symmetry code: (i) -x+1, -y, -z+1.

Table 2
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
C2-H2...N2ii 0.93 2.60 3.196 (9) 122
C8-H8B...N2iii 0.96 2.57 3.491 (8) 160
C10-H10A...O4iv 0.96 2.54 3.381 (7) 147
Symmetry codes: (ii) x-1, y, z; (iii) [x, -y+{\script{1\over 2}}, z-{\script{1\over 2}}]; (iv) -x, -y, -z.

Data collection: APEX2 (Bruker, 2007[Bruker (2007). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 2007[Bruker (2007). APEX2 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: XU5755 ).


Acknowledgements

This work was supported by Hefei University of Technology, China. The data were collected at the University of Science and Technology of China.

References

Bruker (2001). SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.
Bruker (2007). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.
Chang, H.-C., Cole, J. M., Lin, T.-C. & Waddell, P. G. (2011). Acta Cryst. E67, m691.  [CrossRef] [IUCr Journals]
Fairuz, Z. A., Aiyub, Z., Abdullah, Z., Ng, S. W. & Tiekink, E. R. T. (2010). Acta Cryst. E66, m1077-m1078.  [CrossRef] [ChemPort] [IUCr Journals]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [ChemPort] [IUCr Journals]


Acta Cryst (2014). E70, m27  [ doi:10.1107/S1600536813034120 ]

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