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Volume 65 
Part 1 
Page m47  
January 2009  

Received 30 November 2008
Accepted 8 December 2008
Online 13 December 2008

Key indicators
Single-crystal X-ray study
T = 296 K
Mean [sigma](C-C) = 0.003 Å
R = 0.026
wR = 0.060
Data-to-parameter ratio = 13.7
Details
Open access

Poly[(3,5-dinitrobenzoato)-[mu]3-triazolato-cobalt(II)]

aLiaocheng Vocational and Technical College, Liaocheng, Shandong, People's Republic of China
Correspondence e-mail: q200801@sina.com

The title compound, [Co(C2H2N3)(C7H3N2O6)]n, was obtained by the reaction of CoCl2, triazole and 3,5-dinitrobenzoic acid in a 1:1:1 ratio. The Co centre is in a distorted tetrahedral coordination by three N atoms of three different triazole ligands and one O atom of the 3,5-dinitrobenzoate anion.

Related literature

For background, see: Park et al. (2006[Park, H., Moureau, D. M. & Parise, J. B. (2006). Chem. Mater. 18, 525-531.]).

[Scheme 1]

Experimental

Crystal data
  • [Co(C2H2N3)(C7H3N2O6)]

  • Mr = 338.11

  • Monoclinic, P 21 /c

  • a = 11.326 (2) Å

  • b = 9.4043 (19) Å

  • c = 10.696 (2) Å

  • [beta] = 91.22 (3)°

  • V = 1139.0 (4) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 1.55 mm-1

  • T = 296 (2) K

  • 0.14 × 0.12 × 0.10 mm

Data collection
  • Bruker SMART 1K CCD area-detector diffractometer

  • Absorption correction: multi-scan (SADABS; Sheldrick, 2004[Sheldrick, G. M. (2004). SADABS. University of Göttingen, Germany.]) Tmin = 0.812, Tmax = 0.861

  • 10929 measured reflections

  • 2602 independent reflections

  • 2256 reflections with I > 2[sigma](I)

  • Rint = 0.041

Refinement
  • R[F2 > 2[sigma](F2)] = 0.026

  • wR(F2) = 0.060

  • S = 1.03

  • 2602 reflections

  • 190 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 0.33 e Å-3

  • [Delta][rho]min = -0.36 e Å-3

Data collection: SMART (Bruker, 2001[Bruker (2001). SMART and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 2001[Bruker (2001). 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: SHELXL97.


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: BT2826 ).


References

Bruker (2001). SMART and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.
Park, H., Moureau, D. M. & Parise, J. B. (2006). Chem. Mater. 18, 525-531.  [ISI] [CSD] [CrossRef] [ChemPort]
Sheldrick, G. M. (2004). SADABS. University of Göttingen, Germany.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]


Acta Cryst (2009). E65, m47  [ doi:10.1107/S160053680804155X ]

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