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Volume 67 
Part 10 
Pages m1462-m1463  
October 2011  

Received 4 July 2011
Accepted 4 September 2011
Online 30 September 2011

Key indicators
Single-crystal X-ray study
T = 293 K
Mean [sigma](C-C) = 0.002 Å
R = 0.027
wR = 0.073
Data-to-parameter ratio = 11.9
Details
Open access

catena-Poly[iron(II)-bis{[mu]-5-carboxy-2-[(1H-1,2,4-triazol-1-yl)methyl]-1H-imidazole-4-carboxylato}]

aDepartment of Quality Examination and Management, Zhengzhou College of Animal Husbandry Engineering, Zhengzhou, Henan, 450011, People's Republic of China, and bDepartment of Biological Engineering, Zhengzhou College of Animal Husbandry Engineering, Zhengzhou, Henan, 450011, People's Republic of China
Correspondence e-mail: tongyan4200@163.com

In the title coordination polymer, [Fe(C8H6N5O4)2]n {or [FeL2]n,where HL = 2-[(1H-1,2,4-triazol-1-yl) methyl]-1H-imidazole-4,5-dicarboxylic acid)}, the FeII ion, located on an inversion centre, is six-coordinated by two O atoms and four N atoms from two L- ligands in a distorted octahedral geometry [Fe-O = 2.1452 (13), Fe-N = 2.1316 (14) and 2.2484 (15) Å]. There is an intramolecular O-H...O hydrogen bond in each L- ligand. Being an effective tridentate bridging ligand, the deprotonated L- anions link two FeII atoms, yielding a chain-like polymer propagating along [100]. In the crystal, these polymer chains are linked via N-H...N hydrogen bonds, forming a two-dimensional network.

Related literature

For the design and self-assembly of metal-organic coordination polymers (MOCP's), see: Batten & Robson (1998[Batten, S. R. & Robson, R. (1998). Chem. Commun. pp. 1067-1068.]); Eddaoudi et al. (2001[Eddaoudi, M., Moler, D. B., Li, H. L., Chen, B. L., Reineke, T. M. & Yaghi, O. M. (2001). Acc. Chem. Res. 13, 319-330.]). For related structures, see: Wang et al. (2008[Wang, S. A., Zhang, L. R., Li, G. H., Huo, Q. S. & Liu, Y. L. (2008). CrystEngComm, 10, 1662-1666.]); Meng et al. (2009[Meng, C. X., Li, D. S., Zhao, J., Fu, F., Zhang, X. N., Tang, L. & Wang, Y. Y. (2009). Inorg. Chem. Commun. 12, 793-795.]); Zhang, Li et al. (2010[Zhang, F. W., Li, Z. F., Ge, T. Z., Yao, H. C., Li, G., Lu, H. J. & Zhu, Y. (2010). Inorg. Chem. 49, 3776-3788.]); Zhang, Ma et al. (2010[Zhang, L. P., Ma, J. F., Yang, J., Pang, Y. Y. & Ma, J. C. (2010). Inorg. Chem. 49, 1535-1550.]); Feng et al. 2010[Feng, X., Zhao, J. S., Liu, B., Wang, L. Y., Zhang, G., Wang, J. G., Shi, X. G. & Liu, Y. Y. (2010). Cryst. Growth Des. 10, 1399-1408.]); Li et al. (2010[Li, X., Wu, B. L., Wang, R. Y., Zhang, H. Y., Niu, C. Y., Niu, Y. Y. & Hou, H. H. (2010). Inorg. Chem. 49, 2600-2613.]); Chen et al. (2010[Chen, L. Z., Huang, Y., Xiong, R. G. & Hu, H. W. (2010). J. Mol. Struct. 963, 16-21.]); Jing et al. (2010[Jing, X. M., Zhang, L. R., Ma, T. L., Li, G. H., Yu, Y., Huo, Q. S., Eddaoudi, M. & Liu, Y. L. (2010). Cryst. Growth Des. 10, 492-494.]).

[Scheme 1]

Experimental

Crystal data
  • [Fe(C8H6N5O4)2]

  • Mr = 528.21

  • Monoclinic, P 21 /c

  • a = 7.1790 (14) Å

  • b = 13.490 (3) Å

  • c = 10.129 (2) Å

  • [beta] = 99.11 (3)°

  • V = 968.6 (3) Å3

  • Z = 2

  • Mo K[alpha] radiation

  • [mu] = 0.85 mm-1

  • T = 293 K

  • 0.30 × 0.15 × 0.10 mm

Data collection
  • Rigaku Mercury CCD diffractometer

  • Absorption correction: multi-scan (CrystalClear; Rigaku, 2000[Rigaku (2000). CrystalClear. Rigaku Corporation, Tokyo, Japan.]) Tmin = 0.784, Tmax = 0.919

  • 10179 measured reflections

  • 1900 independent reflections

  • 1847 reflections with I > 2[sigma](I)

  • Rint = 0.020

Refinement
  • R[F2 > 2[sigma](F2)] = 0.027

  • wR(F2) = 0.073

  • S = 1.08

  • 1900 reflections

  • 160 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 0.25 e Å-3

  • [Delta][rho]min = -0.25 e Å-3

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
O3-H3A...O2 0.82 1.70 2.5175 (19) 179
N5-H5A...N2i 0.86 2.01 2.850 (2) 166
Symmetry code: (i) [x, -y-{\script{1\over 2}}, z-{\script{1\over 2}}].

Data collection: CrystalClear (Rigaku, 2000[Rigaku (2000). CrystalClear. Rigaku Corporation, Tokyo, Japan.]); cell refinement: CrystalClear; data reduction: CrystalClear; 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: SHELXTL.


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: SU2292 ).


Acknowledgements

This work was sponsored by the Natural Science Foundation of Henan Province (No. 200510469005) and the start-up fund for scientific research of Zhengzhou College of Animal Husbandry Engineering.

References

Batten, S. R. & Robson, R. (1998). Chem. Commun. pp. 1067-1068.
Chen, L. Z., Huang, Y., Xiong, R. G. & Hu, H. W. (2010). J. Mol. Struct. 963, 16-21.  [ISI] [CSD] [CrossRef] [ChemPort]
Eddaoudi, M., Moler, D. B., Li, H. L., Chen, B. L., Reineke, T. M. & Yaghi, O. M. (2001). Acc. Chem. Res. 13, 319-330.  [ISI] [CrossRef]
Feng, X., Zhao, J. S., Liu, B., Wang, L. Y., Zhang, G., Wang, J. G., Shi, X. G. & Liu, Y. Y. (2010). Cryst. Growth Des. 10, 1399-1408.  [CSD] [CrossRef] [ChemPort]
Jing, X. M., Zhang, L. R., Ma, T. L., Li, G. H., Yu, Y., Huo, Q. S., Eddaoudi, M. & Liu, Y. L. (2010). Cryst. Growth Des. 10, 492-494.  [CrossRef] [ChemPort]
Li, X., Wu, B. L., Wang, R. Y., Zhang, H. Y., Niu, C. Y., Niu, Y. Y. & Hou, H. H. (2010). Inorg. Chem. 49, 2600-2613.  [ISI] [CSD] [CrossRef] [ChemPort]
Meng, C. X., Li, D. S., Zhao, J., Fu, F., Zhang, X. N., Tang, L. & Wang, Y. Y. (2009). Inorg. Chem. Commun. 12, 793-795.  [ISI] [CSD] [CrossRef] [ChemPort]
Rigaku (2000). CrystalClear. Rigaku Corporation, Tokyo, Japan.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Wang, S. A., Zhang, L. R., Li, G. H., Huo, Q. S. & Liu, Y. L. (2008). CrystEngComm, 10, 1662-1666.  [ISI] [CSD] [CrossRef] [ChemPort]
Zhang, F. W., Li, Z. F., Ge, T. Z., Yao, H. C., Li, G., Lu, H. J. & Zhu, Y. (2010). Inorg. Chem. 49, 3776-3788.  [ISI] [CSD] [CrossRef] [ChemPort]
Zhang, L. P., Ma, J. F., Yang, J., Pang, Y. Y. & Ma, J. C. (2010). Inorg. Chem. 49, 1535-1550.  [ISI] [CSD] [CrossRef] [ChemPort]


Acta Cryst (2011). E67, m1462-m1463   [ doi:10.1107/S1600536811036026 ]

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