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Volume 68 
Part 1 
Page m50  
January 2012  

Received 24 November 2011
Accepted 9 December 2011
Online 14 December 2011

Key indicators
Single-crystal X-ray study
T = 293 K
Mean [sigma](C-C) = 0.006 Å
R = 0.026
wR = 0.057
Data-to-parameter ratio = 16.2
Details
Open access

Bis[1,1'-(1,3-phenylenedimethylene)di(1H-imidazol-3-ium)] [beta]-octamolybdate

aEngineering Research Center of Pesticides of Heilongjiang University, Heilongjiang University, Harbin 150050, People's Republic of China, and College of Chemistry and Materials Science, Heilongjiang University, Harbin 150080, People's Republic of China
Correspondence e-mail: hgf1000@163.com

In the title compound, (C14H16N4)2[Mo8O26], the [beta]-octamolybdate anion is centrosymmetric. N-H...O hydrogen bonds link the diimidazolium cations and the polyoxidoanions into a chain structure along [100]. [pi]-[pi] interactions between the imidazole rings and between the imidazole and benzene rings [centroid-centroid distances = 3.611 (2) and 3.689 (3) Å, respectively] connect the chains.

Related literature

For general background to polyoxidometalate-based organic-inorganic hybrid compounds, see: Xie et al. (2011[Xie, Y.-M., Yu, R.-M., Wu, X.-Y., Wang, F., Zhang, J. & Lu, C.-Z. (2011). Cryst. Growth Des. 11, 4739-4741.]); Xu et al. (1999[Xu, Q., Wang, R.-Z., Yang, G.-Y., Xing, Y.-H., Li, D.-M., Bu, W.-M., Ye, L., Fan, Y.-G., Yang, G.-D., Xong, Y., Lin, Y.-H. & Jia, H.-Q. (1999). Chem. Commun. pp. 983-984.]). For the synthesis of the ligand, see: Yang et al. (2006[Yang, J., Ma, J.-F., Liu, Y.-Y., Ma, J.-C., Jia, H.-Q. & Hu, N.-H. (2006). Eur. J. Inorg. Chem. pp. 1208-1215.]).

[Scheme 1]

Experimental

Crystal data
  • (C14H16N4)2[Mo8O26]

  • Mr = 1664.14

  • Monoclinic, P 21 /c

  • a = 12.163 (2) Å

  • b = 12.785 (3) Å

  • c = 14.937 (3) Å

  • [beta] = 96.82 (3)°

  • V = 2306.3 (8) Å3

  • Z = 2

  • Mo K[alpha] radiation

  • [mu] = 2.20 mm-1

  • T = 293 K

  • 0.12 × 0.10 × 0.10 mm

Data collection
  • Rigaku R-AXIS RAPID diffractometer

  • Absorption correction: multi-scan (ABSCOR; Higashi, 1995[Higashi, T. (1995). ABSCOR. Rigaku Corporation, Tokyo, Japan.]) Tmin = 0.780, Tmax = 0.809

  • 21595 measured reflections

  • 5261 independent reflections

  • 4579 reflections with I > 2[sigma](I)

  • Rint = 0.032

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

  • wR(F2) = 0.057

  • S = 1.01

  • 5261 reflections

  • 324 parameters

  • 2 restraints

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

  • [Delta][rho]max = 1.12 e Å-3

  • [Delta][rho]min = -1.30 e Å-3

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
N2-H21...O12i 0.90 (1) 1.96 (2) 2.844 (4) 168 (4)
N4-H41...O5ii 0.90 (1) 2.51 (5) 3.003 (5) 115 (4)
N4-H41...O8ii 0.90 (1) 2.23 (4) 2.909 (5) 132 (5)
Symmetry codes: (i) -x+1, -y+1, -z+2; (ii) x+1, y-1, z.

Data collection: RAPID-AUTO (Rigaku, 1998[Rigaku (1998). RAPID-AUTO. Rigaku Corporation, Tokyo, Japan.]); cell refinement: RAPID-AUTO; data reduction: CrystalClear (Rigaku/MSC, 2002[Rigaku/MSC (2002). CrystalClear. Rigaku/MSC Inc., The Woodlands, Texas, USA.]); 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: DIAMOND (Brandenburg, 1999[Brandenburg, K. (1999). DIAMOND. Crystal Impact GbR, Bonn, Germany.]); software used to prepare material for publication: SHELXTL (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]).


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: HY2492 ).


Acknowledgements

The authors thank the Project of Innovation Service Platform of Heilongjiang Province (PG09J001) and Heilongjiang University for supporting this work.

References

Brandenburg, K. (1999). DIAMOND. Crystal Impact GbR, Bonn, Germany.
Higashi, T. (1995). ABSCOR. Rigaku Corporation, Tokyo, Japan.
Rigaku (1998). RAPID-AUTO. Rigaku Corporation, Tokyo, Japan.
Rigaku/MSC (2002). CrystalClear. Rigaku/MSC Inc., The Woodlands, Texas, USA.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Xie, Y.-M., Yu, R.-M., Wu, X.-Y., Wang, F., Zhang, J. & Lu, C.-Z. (2011). Cryst. Growth Des. 11, 4739-4741.  [CrossRef] [ChemPort]
Xu, Q., Wang, R.-Z., Yang, G.-Y., Xing, Y.-H., Li, D.-M., Bu, W.-M., Ye, L., Fan, Y.-G., Yang, G.-D., Xong, Y., Lin, Y.-H. & Jia, H.-Q. (1999). Chem. Commun. pp. 983-984.  [CrossRef]
Yang, J., Ma, J.-F., Liu, Y.-Y., Ma, J.-C., Jia, H.-Q. & Hu, N.-H. (2006). Eur. J. Inorg. Chem. pp. 1208-1215.  [ISI] [CSD] [CrossRef]


Acta Cryst (2012). E68, m50  [ doi:10.1107/S1600536811053050 ]

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