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Volume 70 
Part 1 
Page m3  
January 2014  

Received 20 September 2013
Accepted 22 November 2013
Online 4 December 2013

Key indicators
Single-crystal X-ray study
T = 173 K
Mean [sigma](C-C) = 0.009 Å
Disorder in main residue
R = 0.053
wR = 0.139
Data-to-parameter ratio = 13.5
Details
Open access

Poly[bis­([mu]4-2,3,5,6-tetra­fluoro­benzene-1,4-di­carboxyl­ato-[kappa]4O1:O1':O4:O4')bis­(tetra­hydro­furan-[kappa]O)dizinc]

aDepartment of Chemistry, Soongsil University, 369 Sangdo-Ro, Dongjak-Gu, Seoul 156-743, Republic of Korea
Correspondence e-mail: jinkukyang@ssu.ac.kr

The title compound, [Zn2(C8F4O4)2(C4H8O)2]n, has a three-dimensional metal-organic framework structure. The asymmetric unit consists of two ZnII atoms, two tetrahydrofuran ligands, one 2,3,5,6-tetra­fluoro­benzene-1,4-di­carboxyl­ate ligand and two half 2,3,5,6-tetra­fluoro­benzene-1,4-di­carboxyl­ate ligands, which are completed by inversion symmetry. One ZnII atom has a distorted trigonal-bipyramidal coordination geometry, while the other has a distorted octa­hedral geometry. Two independent tetra­hydro­furan ligands are each disordered over two sets of sites with occupancy ratios of 0.48 (4):0.52 (4) and 0.469 (17):0.531 (17).

Related literature

For general background of compounds with metal-organic framework structures, see: Yoon et al. (2007[Yoon, J. H., Choi, S. B., Oh, Y. J., Seo, M. J., Jhon, Y. H., Lee, T.-B., Kim, D., Choi, S. H. & Kim, J. (2007). Catal. Today, 120, 324-329.]). For related crystal structures, see: Hulvey et al. (2011[Hulvey, Z., Sava, D. A., Eckert, J. & Cheetham, A. K. (2011). Inorg. Chem. 50, 403-405.]); Seidel et al. (2011[Seidel, C., Ahlers, R. & Ruschewitz, U. (2011). Cryst. Growth Des. 11, 5053-5063.]); Yoon et al. (2007[Yoon, J. H., Choi, S. B., Oh, Y. J., Seo, M. J., Jhon, Y. H., Lee, T.-B., Kim, D., Choi, S. H. & Kim, J. (2007). Catal. Today, 120, 324-329.]); Yu et al. (2011[Yu, J., Zhang, Y.-F., Sun, F.-A. & Chen, Q. (2011). Acta Cryst. E67, m527-m528.]); Zheng et al. (2008[Zheng, C.-G., Hong, J.-Q., Zhang, J. & Wang, C. (2008). Acta Cryst. E64, m879.]).

[Scheme 1]

Experimental

Crystal data
  • [Zn2(C8F4O4)2(C4H8O)2]

  • Mr = 747.11

  • Monoclinic, P 21 /n

  • a = 11.9339 (8) Å

  • b = 12.4369 (9) Å

  • c = 17.9627 (12) Å

  • [beta] = 104.051 (1)°

  • V = 2586.3 (3) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 1.97 mm-1

  • T = 173 K

  • 0.10 × 0.05 × 0.05 mm

Data collection
  • SMART APEX CCD diffractometer

  • Absorption correction: multi-scan (SADABS; Sheldrick, 2003[Sheldrick, G. M. (2003). SADABS. University of Göttingen, Germany.]) Tmin = 0.827, Tmax = 0.908

  • 16096 measured reflections

  • 5980 independent reflections

  • 2859 reflections with I > 2[sigma](I)

  • Rint = 0.111

Refinement
  • R[F2 > 2[sigma](F2)] = 0.053

  • wR(F2) = 0.139

  • S = 0.94

  • 5980 reflections

  • 444 parameters

  • 81 restraints

  • H-atom parameters constrained

  • [Delta][rho]max = 0.66 e Å-3

  • [Delta][rho]min = -0.78 e Å-3

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: SHELXTL (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: publCIF (Westrip, 2010[Westrip, S. P. (2010). J. Appl. Cryst. 43, 920-925.]).


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: IS5307 ).


Acknowledgements

This research was supported by the Energy Efficiency & Resources of the Korea Institute of Energy Technology Evaluation and Planning (KETEP) grant funded by the Korean Government Ministry of Knowledge Economy (No. 20122010100120).

References

Bruker (2007). SMART and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.
Hulvey, Z., Sava, D. A., Eckert, J. & Cheetham, A. K. (2011). Inorg. Chem. 50, 403-405.  [Web of Science] [CSD] [CrossRef] [ChemPort]
Seidel, C., Ahlers, R. & Ruschewitz, U. (2011). Cryst. Growth Des. 11, 5053-5063.  [CSD] [CrossRef] [ChemPort]
Sheldrick, G. M. (2003). SADABS. University of Göttingen, Germany.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [ChemPort] [IUCr Journals]
Westrip, S. P. (2010). J. Appl. Cryst. 43, 920-925.  [Web of Science] [CrossRef] [ChemPort] [IUCr Journals]
Yoon, J. H., Choi, S. B., Oh, Y. J., Seo, M. J., Jhon, Y. H., Lee, T.-B., Kim, D., Choi, S. H. & Kim, J. (2007). Catal. Today, 120, 324-329.  [Web of Science] [CSD] [CrossRef] [ChemPort]
Yu, J., Zhang, Y.-F., Sun, F.-A. & Chen, Q. (2011). Acta Cryst. E67, m527-m528.  [CSD] [CrossRef] [ChemPort] [IUCr Journals]
Zheng, C.-G., Hong, J.-Q., Zhang, J. & Wang, C. (2008). Acta Cryst. E64, m879.  [CSD] [CrossRef] [IUCr Journals]


Acta Cryst (2014). E70, m3  [ doi:10.1107/S1600536813031887 ]

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