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Volume 69 
Part 11 
Pages m616-m617  
November 2013  

Received 16 September 2013
Accepted 15 October 2013
Online 23 October 2013

Key indicators
Single-crystal X-ray study
T = 185 K
Mean [sigma](C-C) = 0.005 Å
R = 0.034
wR = 0.095
Data-to-parameter ratio = 15.0
Details
Open access

Poly[[([mu]2-benzene-1,3-di­carboxyl­ato){[mu]2-1,4-bis­[(1H-imidazol-1-yl)meth­yl]benzene}­cadmium] di­methyl­formamide monosolvate]

aDepartment of General Surgery, The First Hospital, Jilin University, Changchun, 130021 Jilin Province, People's Republic of China
Correspondence e-mail: suojian0007@163.com

The title coordination polymer, {[Cd(C8H4O4)(C14H14N4)]·C3H7NO}n, was synthesized by solvothermal reaction of metallic cadmium with the semi-rigid neutral ligand 1,4-bis­[(1H-imidazol-1-yl)meth­yl]benzene (bix) and the V-shaped benzene-1,3-di­carb­oxy­lic acid (m-H2bdc). The structure exhibits a pseudo-C-centring which is almost fulfilled by the polymeric metal complex but not by the solvent dimethylform­amide (DMF) mol­ecules. The asymmetric unit contains two independent CdII ions, two m-bdc2- ligands, one and two half bix ligands, and two solvent DMF mol­ecules. The CdII ions are both five-coordinated by three O atoms from two different m-bdc2- ligands and two N atoms from two different bix ligands in a distorted square-pyramidal geometry. The m-bdc2- ligands adopt a chelate-monodentate coordination mode, connecting neighboring CdII ions into a zigzag chain parallel to [110]. Adjacent chains are further cross-linked by bix ligands, giving rise to a puckered sheet nearly perpendicular to the chain direction. Thus, each CdII ion is connected to four neighboring CdII ions through two m-bdc2- anions and two bix ligands, giving rise to the final non-inter­penetrating uninodal layer with sql (4,4) topology.

Related literature

For background compounds with metal-organic framework structurs, see: Batten & Robson (1998[Batten, S. R. & Robson, R. (1998). Angew. Chem. Int. Ed. 37, 1460-1494.]); Chen et al. (2011[Chen, Z., Xiang, S., Arman, H. D., Mondal, J. U., Li, P., Zhao, D. & Chen, B. (2011). Inorg. Chem. 50, 3442-3446.]); Farrusseng et al. (2009[Farrusseng, D., Aguado, S. & Pinel, C. (2009). Angew. Chem. Int. Ed. 48, 7502-7513.]); Kurmoo (2009[Kurmoo, M. (2009). Chem. Soc. Rev. 38, 1353-1379.]); Pramanik et al. (2011[Pramanik, S., Zheng, C., Zhang, X., Emge, T. J. & Li, J. (2011). J. Am. Chem. Soc. 133, 4153-4155.]); Wong et al. (2006[Wong, K.-L., Law, G.-L., Yang, Y.-Y. & Wong, W.-T. (2006). Adv. Mater. 18, 1051-1054.]). For topologies, see: Blatov et al. (2010[Blatov, V. A., O'Keeffe, M. & Proserpio, D. M. (2010). CrystEngComm, 12, 44-48.]). For a description of the geometry of complexes with five-coordinate metal atoms, see: Addison et al. (1984[Addison, A. W., Rao, T. N., Reedijk, J., van Rijn, J. & Verschoor, G. C. (1984). J. Chem. Soc. Dalton Trans. pp. 1349-1356.]).

[Scheme 1]

Experimental

Crystal data
  • [Cd(C8H4O4)(C14H14N4)]·C3H7NO

  • Mr = 587.90

  • Triclinic, [P \overline 1]

  • a = 11.2088 (4) Å

  • b = 13.4710 (5) Å

  • c = 18.9133 (7) Å

  • [alpha] = 69.648 (1)°

  • [beta] = 80.124 (1)°

  • [gamma] = 68.521 (1)°

  • V = 2488.37 (16) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 0.92 mm-1

  • T = 185 K

  • 0.26 × 0.23 × 0.13 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 = 0.795, Tmax = 0.889

  • 13952 measured reflections

  • 9746 independent reflections

  • 6383 reflections with I > 2[sigma](I)

  • Rint = 0.017

Refinement
  • R[F2 > 2[sigma](F2)] = 0.034

  • wR(F2) = 0.095

  • S = 1.05

  • 9746 reflections

  • 649 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 0.61 e Å-3

  • [Delta][rho]min = -0.51 e Å-3

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: SHELXTL (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); program(s) used to refine structure: SHELXTL; molecular graphics: XP in SHELXTL and DIAMOND (Brandenburg, 1999[Brandenburg, K. (1999). DIAMOND. University of 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: BT6934 ).


Acknowledgements

The authors thank Jilin University for supporting this work.

References

Addison, A. W., Rao, T. N., Reedijk, J., van Rijn, J. & Verschoor, G. C. (1984). J. Chem. Soc. Dalton Trans. pp. 1349-1356.  [CSD] [CrossRef]
Batten, S. R. & Robson, R. (1998). Angew. Chem. Int. Ed. 37, 1460-1494.  [Web of Science] [CrossRef]
Blatov, V. A., O'Keeffe, M. & Proserpio, D. M. (2010). CrystEngComm, 12, 44-48.  [Web of Science] [CrossRef] [ChemPort]
Brandenburg, K. (1999). DIAMOND. University of Bonn, Germany.
Bruker (2007). APEX2, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.
Chen, Z., Xiang, S., Arman, H. D., Mondal, J. U., Li, P., Zhao, D. & Chen, B. (2011). Inorg. Chem. 50, 3442-3446.  [Web of Science] [CSD] [CrossRef] [ChemPort] [PubMed]
Farrusseng, D., Aguado, S. & Pinel, C. (2009). Angew. Chem. Int. Ed. 48, 7502-7513.  [Web of Science] [CrossRef] [ChemPort]
Kurmoo, M. (2009). Chem. Soc. Rev. 38, 1353-1379.  [Web of Science] [CrossRef] [PubMed] [ChemPort]
Pramanik, S., Zheng, C., Zhang, X., Emge, T. J. & Li, J. (2011). J. Am. Chem. Soc. 133, 4153-4155.  [Web of Science] [CSD] [CrossRef] [ChemPort] [PubMed]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [ChemPort] [IUCr Journals]
Wong, K.-L., Law, G.-L., Yang, Y.-Y. & Wong, W.-T. (2006). Adv. Mater. 18, 1051-1054.  [Web of Science] [CSD] [CrossRef] [ChemPort]


Acta Cryst (2013). E69, m616-m617   [ doi:10.1107/S1600536813028298 ]

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