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Volume 68 
Part 11 
Page m1364  
November 2012  

Received 29 August 2012
Accepted 10 October 2012
Online 13 October 2012

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Key indicators
Single-crystal X-ray study
T = 293 K
Mean [sigma](C-C) = 0.008 Å
R = 0.037
wR = 0.087
Data-to-parameter ratio = 11.9
Details
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Poly[di-[mu]3-hydroxy[[mu]4-5-(4-carboxyphenyl)pyridine-2-carboxylato-[kappa]5N,O2:O2':O4:O4']dicadmium]

Fan-Jin Meng,a Heng-Qing Jia,a Ning-Hai Hua and Hua Zhoua*

aState Key Laboratory of Electroanalytical Chemistry, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022, People's Republic of China
Correspondence e-mail: zhouhua@ciac.jl.cn

The asymmetric unit of the title polymeric complex, [Cd2(C13H7NO4)(OH)2]n, consists of two independent CdII atoms, one 5-(4-carboxyphenyl)pyridine-2-carboxylate ligand and two hydroxy groups. One CdII atom is six-coordinated by two O atoms from two ligand molecules and by four [mu]3-OH groups in a distorted trigonal-prismatic geometry. The other is five-coordinated by one N and two O atoms from two ligands and by two [mu]3-OH groups, forming a distorted square-pyramidal geometry. The two independent CdII atoms are connected by the ligand molecules and the OH groups into a three-dimensional framework. O-H...O hydrogen bonds between the OH groups and the carboxylate O atoms are observed.

Related literature

For related structures and applications of metal complexes with N-heterocyclic multicarboxylate ligands, see: Li et al. (2008[Li, Z.-G., Wang, G.-H., Jia, H.-Q., Hu, N.-H., Xu, J.-W. & Batten, S. R. (2008). CrystEngComm, 10, 983-985.]); Mahata & Natarajan (2005[Mahata, P. & Natarajan, S. (2005). Eur. J. Inorg. Chem. pp. 2156-2163.]); Sun et al. (2001[Sun, Y.-Q., Zhang, J., Chen, Y.-M. & Yang, G.-Y. (2001). Angew. Chem. Int. Ed. 44, 5814-5817.]); Wang et al. (2009[Wang, G.-H., Li, Z.-G., Jia, H.-Q., Hu, N.-H. & Xu, J.-W. (2009). CrystEngComm, 11, 292-297.]). For the synthesis of the ligand, see: Ben & Gordon (1951[Ben, B. C. & Gordon, S. B. (1951). US Patent 2578672.]); Liu et al. (2005[Liu, L.-F., Zhang, Y.-H. & Wang, Y.-G. (2005). Eur. J. Org. Chem. 70, 6122-6125.]).

[Scheme 1]

Experimental

Crystal data

  • [Cd2(C13H7NO4)(OH)2]

  • Mr = 500.03

  • Monoclinic, P 21 /c

  • a = 15.4316 (17) Å

  • b = 3.8261 (4) Å

  • c = 21.586 (2) Å

  • [beta] = 102.114 (2)°

  • V = 1246.1 (2) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 3.44 mm-1

  • T = 293 K

  • 0.27 × 0.21 × 0.14 mm
Data collection

  • Bruker APEX CCD diffractometer

  • Absorption correction: multi-scan (SADABS; Bruker, 2001[Bruker (2001). SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]) Tmin = 0.457, Tmax = 0.644

  • 6277 measured reflections

  • 2448 independent reflections

  • 2109 reflections with I > 2[sigma](I)

  • Rint = 0.052
Refinement

  • R[F2 > 2[sigma](F2)] = 0.037

  • wR(F2) = 0.087

  • S = 1.04

  • 2448 reflections

  • 205 parameters

  • 2 restraints

  • H atoms treated by a mixture of independent and constrained refinement

  • [Delta][rho]max = 1.82 e Å-3

  • [Delta][rho]min = -1.36 e Å-3

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
O5-H5A...O1i 0.81 (3) 2.08 (4) 2.818 (6) 150 (6)
O6-H6A...O3ii 0.82 (2) 2.39 (4) 2.887 (6) 120 (6)
Symmetry codes: (i) -x+1, -y+2, -z+1; (ii) -x+2, -y+1, -z+1.

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

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: IS5190 ).

Acknowledgements

We are thankful for support from the State Key Laboratory of Electroanalytical Chemistry, Changchun, China.

References

Ben, B. C. & Gordon, S. B. (1951). US Patent 2578672.
Bruker (2001). SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.
Bruker (2007). SMART and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.
Li, Z.-G., Wang, G.-H., Jia, H.-Q., Hu, N.-H., Xu, J.-W. & Batten, S. R. (2008). CrystEngComm, 10, 983-985.  [ISI] [CrossRef] [ChemPort]
Liu, L.-F., Zhang, Y.-H. & Wang, Y.-G. (2005). Eur. J. Org. Chem. 70, 6122-6125.  [ChemPort]
Mahata, P. & Natarajan, S. (2005). Eur. J. Inorg. Chem. pp. 2156-2163.  [ISI] [CSD] [CrossRef]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Sun, Y.-Q., Zhang, J., Chen, Y.-M. & Yang, G.-Y. (2001). Angew. Chem. Int. Ed. 44, 5814-5817.  [ISI] [CSD] [CrossRef]
Wang, G.-H., Li, Z.-G., Jia, H.-Q., Hu, N.-H. & Xu, J.-W. (2009). CrystEngComm, 11, 292-297.  [ISI] [CSD] [CrossRef] [ChemPort]

Acta Cryst (2012). E68, m1364  [ doi:10.1107/S1600536812042444 ]

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