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Volume 64 
Part 1 
Page m114  
January 2008  

Received 9 November 2007
Accepted 28 November 2007
Online 6 December 2007


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© International Union of Crystallography 2008

Key indicators
Single-crystal X-ray study
T = 293 K
Mean [sigma](C-C) = 0.006 Å
R = 0.050
wR = 0.129
Data-to-parameter ratio = 16.3
Details

Poly[methanoltetrakis[[mu]3-5-(4-methoxyphenyl)pyrazole-3-carboxylato(2-)]tricopper(II)disodium(I)

Yue An,a* Guang-Hua Zhou,a Ping-Ping Mu,a Xiao-Xia Zhoua and Yong-Heng Xinga

aCollege of Chemistry and Chemical Engineering, Liaoning Normal University, Dalian 116029, People's Republic of China
Correspondence e-mail: anyuelnnu@163.com

The asymmetric unit of the polymeric title complex, [Cu3Na2(C11H8N2O3)4(CH4O)]n, consists of two NaI atoms, three CuII atoms, four 5-(4-methoxyphenyl)pyrazole-3-carboxylate ligands and one methanol molecule. The central CuII atom is coordinated by four N atoms from four pyrazole-3-carboxylate ligands, forming a distorted tetrahedral (CuN4) geometry, while each of the other two CuII atoms is coordinated by two O atoms and two N atoms from the two ligands, forming a slightly distorted square-planar (CuN2O2) geometry. Each of the two NaI atoms is coordinated by five O atoms, forming a distorted octahedral geometry; four O atoms are from the carboxylate groups of the three ligands and the remaining O atom is from the methoxy group of the ligand or from the methanol molecule.

Related literature

For related literature, see: Fujisawa et al. (2004[Fujisawa, K., Tada, N., Ishikawa, Y., Higashimura, H., Miyashita, Y. & Okamoto, K. (2004). Inorg. Chem. Commun. 7, 209-212.]); Mezei et al. (2004[Mezei, G., Rivera-Carrillo, M. & Raptis, R. G. (2004). Inorg. Chim. Acta, 357, 3721-3732.]); Omary et al. (2003[Omary, M. A., Rawashdeh-Omary, M. A., Diyabalanage, H. V. K. & Rasika Dias, H. V. (2003). Inorg. Chem. 42, 8612-8614.]); Spiccia et al. (1997[Spiccia, L., Graham, B., Hearn, M. T. W., Lazarev, G., Moubaraki, B., Murray, K. S. & Tiekink, E. R. T. (1997). J. Chem. Soc. Dalton Trans. pp. 4089-4097.]); Trofimenko (1972[Trofimenko, S. (1972). Chem. Rev. 72, 479-509.]); Zhou et al. (2007[Zhou, G., An, Y., Han, J., Ge, M. & Xing, Y. (2007). Acta Cryst. E63, o4474.]).

[Scheme 1]

Experimental

Crystal data

  • [Cu3Na2(C11H8N2O3)4(CH4O)]

  • Mr = 1133.42

  • Monoclinic, P 21 /n

  • a = 14.9392 (19) Å

  • b = 11.2721 (14) Å

  • c = 28.030 (4) Å

  • [beta] = 103.259 (2)°

  • V = 4594.3 (10) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 1.47 mm-1

  • T = 293 (2) K

  • 0.20 × 0.18 × 0.18 mm
Data collection

  • Bruker APEXII diffractometer

  • Absorption correction: multi-scan (SADABS; Sheldrick, 2003[Sheldrick, G. M. (2003). SADABS. Unversity of Göttingen, Germany.]) Tmin = 0.758, Tmax = 0.778

  • 27017 measured reflections

  • 10442 independent reflections

  • 5736 reflections with I > 2[sigma](I)

  • Rint = 0.060
Refinement

  • R[F2 > 2[sigma](F2)] = 0.050

  • wR(F2) = 0.129

  • S = 1.02

  • 10442 reflections

  • 640 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 0.63 e Å-3

  • [Delta][rho]min = -0.46 e Å-3

Data collection: APEX2 (Bruker, 2005[Bruker (2005). APEX2. Version 1.27. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: APEX2; data reduction: APEX2 (Bruker, 2005[Bruker (2005). APEX2. Version 1.27. Bruker AXS Inc., Madison, Wisconsin, USA.]); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997a[Sheldrick, G. M. (1997a). SHELXS97 and SHELXL97. University of Göttingen, Germany.]); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997a[Sheldrick, G. M. (1997a). SHELXS97 and SHELXL97. University of Göttingen, Germany.]); molecular graphics: SHELXTL (Sheldrick, 1997b[Sheldrick, G. M. (1997b). SHELXTL. Version 5.10. Bruker AXS Inc., Madison, Wisconsin, USA.]) and DIAMOND (Brandenburg, 1998[Brandenburg, K. (1998). DIAMOND. Version 2.1. Crystal Impact GbR. Bonn, Germany.]); software used to prepare material for publication: SHELXTL.

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: IS2241 ).

Acknowledgements

The authors are grateful to Dr Tian Yunqi for his selfless help with our work.

References

Brandenburg, K. (1998). DIAMOND. Version 2.1. Crystal Impact GbR. Bonn, Germany.
Bruker (2005). APEX2. Version 1.27. Bruker AXS Inc., Madison, Wisconsin, USA.
Fujisawa, K., Tada, N., Ishikawa, Y., Higashimura, H., Miyashita, Y. & Okamoto, K. (2004). Inorg. Chem. Commun. 7, 209-212.  [CrossRef] [ChemPort]
Mezei, G., Rivera-Carrillo, M. & Raptis, R. G. (2004). Inorg. Chim. Acta, 357, 3721-3732.  [CrossRef] [ChemPort]
Omary, M. A., Rawashdeh-Omary, M. A., Diyabalanage, H. V. K. & Rasika Dias, H. V. (2003). Inorg. Chem. 42, 8612-8614.  [CrossRef] [PubMed] [ChemPort]
Sheldrick, G. M. (1997a). SHELXS97 and SHELXL97. University of Göttingen, Germany.
Sheldrick, G. M. (1997b). SHELXTL. Version 5.10. Bruker AXS Inc., Madison, Wisconsin, USA.
Sheldrick, G. M. (2003). SADABS. Unversity of Göttingen, Germany.
Spiccia, L., Graham, B., Hearn, M. T. W., Lazarev, G., Moubaraki, B., Murray, K. S. & Tiekink, E. R. T. (1997). J. Chem. Soc. Dalton Trans. pp. 4089-4097.  [CrossRef]
Trofimenko, S. (1972). Chem. Rev. 72, 479-509.  [CrossRef]
Zhou, G., An, Y., Han, J., Ge, M. & Xing, Y. (2007). Acta Cryst. E63, o4474.  [CrossRef] [details]

Acta Cryst (2008). E64, m114  [ doi:10.1107/S1600536807064008 ]