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Volume 69 
Part 4 
Page m221  
April 2013  

Received 19 February 2013
Accepted 12 March 2013
Online 16 March 2013

Key indicators
Single-crystal X-ray study
T = 296 K
Mean [sigma](C-C) = 0.004 Å
R = 0.037
wR = 0.102
Data-to-parameter ratio = 23.0
Details
Open access

Tetrakis([mu]-4-chlorobenzoato-[kappa]2O:O')bis[(ethanol-[kappa]O)copper(II)](Cu-Cu)

aDipartimento di Scienze Chimiche, Universitá di Messina, Viale F. Stagno d'Alcontres 31, 98166 Messina, Italy
Correspondence e-mail: fnicolo@unime.it

In the centrosymmetric dinuclear title CuII complex, [Cu2(C7H4ClO2)(C2H5OH)2], the Cu-Cu distance is 2.5905 (4) Å. The two metal atoms are bridged by four 4-chlorobenzoate ligands and each has an ethanol molecule in the axial position of the overall octahedral coordination environment. The crystal packing features O-H...O hydrogen bonds.

Related literature

For general background to metal-coordination polymers, see: Deka et al. (2006[Deka, K., Sarma, R. J. & Baruah, J. B. (2006). Inorg. Chem. Commun. 9, 931-934.]); Eddaoudi et al. (2001[Eddaoudi, M., Moler, D. B., Li, H., Chen, B., Reineke, T. M., O'Keeffe, M. & Yaghi, O. M. (2001). Acc. Chem. Res. 34, 319-330.]); Casarin et al. (2005[Casarin, M., Corvaja, C., Nicola, C. D., Falcomer, D., Franco, L., Monari, M., Pandolfo, L., Pettinari, C. & Piccinelli, F. (2005). Inorg. Chem. 44, 6265-6276.]). For their coordination modes, see: Chen & Chen (2002[Chen, H. J. & Chen, X. M. (2002). Inorg. Chim. Acta, 329, 13-21.]). For related structures, see: Hauptmann et al. (2000[Hauptmann, R., Kondo, M. & Kitagawa, S. (2000). Z. Kristallogr. New Cryst. Struct. 215, 169-172.]); Ueda et al. (2005[Ueda, M., Itou, M., Okazawa, K., Mochida, T. & Mori, H. (2005). Polyhedron, 24, 2189-2193.]); Hökelek et al. (2008[Hökelek, T., Çaylak, N. & Necefoglu, H. (2008). Acta Cryst. E64, m460-m461.]); Hu et al. (2004[Hu, R.-Z., Liu, Z.-D., Tan, M.-Y. & Zhu, H.-L. (2004). Acta Cryst. E60, m946-m947.]).

[Scheme 1]

Experimental

Crystal data
  • [Cu2(C7H4ClO2)(C2H6O)2]

  • Mr = 841.42

  • Triclinic, [P \overline 1]

  • a = 6.5766 (1) Å

  • b = 11.1792 (2) Å

  • c = 12.4355 (3) Å

  • [alpha] = 93.175 (1)°

  • [beta] = 103.890 (1)°

  • [gamma] = 98.688 (1)°

  • V = 873.34 (3) Å3

  • Z = 1

  • Mo K[alpha] radiation

  • [mu] = 1.58 mm-1

  • T = 296 K

  • 0.38 × 0.18 × 0.10 mm

Data collection
  • Bruker APEXII CCD diffractometer

  • Absorption correction: multi-scan (SADABS; Bruker, 2007[Bruker (2007). APEX2, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]) Tmin = 0.695, Tmax = 0.746

  • 36853 measured reflections

  • 5070 independent reflections

  • 4288 reflections with I > 2[sigma](I)

  • Rint = 0.033

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

  • wR(F2) = 0.102

  • S = 1.03

  • 5070 reflections

  • 220 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 0.50 e Å-3

  • [Delta][rho]min = -0.42 e Å-3

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
O5-H5...O2i 0.82 2.35 3.073 (3) 148
O5-H5...O3ii 0.82 2.57 3.047 (3) 118
Symmetry codes: (i) x-1, y, z; (ii) -x+1, -y, -z.

Data collection: APEX2 (Bruker, 2007[Bruker (2007). APEX2, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 2007[Bruker (2007). APEX2, SAINT and SADABS. 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: XPW (Siemens, 1996[Siemens (1996). XPW. Siemens Analytical X-ray Instruments Inc., Madison, Wisconsin, USA.]); software used to prepare material for publication: SHELXTL (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]).


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: FJ2617 ).


References

Bruker (2007). APEX2, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.
Casarin, M., Corvaja, C., Nicola, C. D., Falcomer, D., Franco, L., Monari, M., Pandolfo, L., Pettinari, C. & Piccinelli, F. (2005). Inorg. Chem. 44, 6265-6276.  [ISI] [CSD] [CrossRef] [PubMed] [ChemPort]
Chen, H. J. & Chen, X. M. (2002). Inorg. Chim. Acta, 329, 13-21.  [ISI] [CSD] [CrossRef] [ChemPort]
Deka, K., Sarma, R. J. & Baruah, J. B. (2006). Inorg. Chem. Commun. 9, 931-934.  [ISI] [CSD] [CrossRef] [ChemPort]
Eddaoudi, M., Moler, D. B., Li, H., Chen, B., Reineke, T. M., O'Keeffe, M. & Yaghi, O. M. (2001). Acc. Chem. Res. 34, 319-330.  [ISI] [CrossRef] [PubMed] [ChemPort]
Hauptmann, R., Kondo, M. & Kitagawa, S. (2000). Z. Kristallogr. New Cryst. Struct. 215, 169-172.  [ChemPort]
Hökelek, T., Çaylak, N. & Necefoglu, H. (2008). Acta Cryst. E64, m460-m461.  [CSD] [CrossRef] [details]
Hu, R.-Z., Liu, Z.-D., Tan, M.-Y. & Zhu, H.-L. (2004). Acta Cryst. E60, m946-m947.  [CSD] [CrossRef] [details]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Siemens (1996). XPW. Siemens Analytical X-ray Instruments Inc., Madison, Wisconsin, USA.
Ueda, M., Itou, M., Okazawa, K., Mochida, T. & Mori, H. (2005). Polyhedron, 24, 2189-2193.  [ISI] [CSD] [CrossRef] [ChemPort]


Acta Cryst (2013). E69, m221  [ doi:10.1107/S1600536813006909 ]

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