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Volume 69 
Part 11 
Pages m577-m578  
November 2013  

Received 19 September 2013
Accepted 23 September 2013
Online 2 October 2013

Key indicators
Single-crystal X-ray study
T = 173 K
Mean [sigma](C-C) = 0.003 Å
Disorder in main residue
R = 0.020
wR = 0.054
Data-to-parameter ratio = 12.0
Details
Open access

Poly[bis­(ethanol)([mu]4-2,3,5,6-tetra­fluoro­benzene-1,4-di­carboxyl­ato)cadmium]

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

In the title compound, [Cd(C8F4O4)(C2H5OH)2]n, the CdII cation sits on an inversion centre and is coordinated by six O atoms from four tetra­fluoro­benzene-1,4-di­carboxyl­ate anions and two ethanol mol­ecules in a distorted octa­hedral geometry. The anionic ligand is also located on an inversion centre, and connects four CdII cations, generating a two-dimensional polymeric layer parallel to the ab plane. Within the layer, the ethanol mol­ecule links F and O atoms of the nearest anionic ligands via O-H...O and O-H...F hydrogen bonds. The ethyl group of the ethanol mol­ecule is disordered over two positions with an occupancy ratio of 0.567 (10):0.433 (10).

Related literature

For metal-organic frameworks composed of metal ions and 2,3,5,6-tetra­fluoro­benzene-1,4-di­carboxyl­ate (or tetra­fluoro­terephthalate), see: Chen et al. (2006[Chen, B., Yang, Y., Zapata, F., Qian, G., Luo, Y., Zhang, J. & Lobkovsky, E. B. (2006). Inorg. Chem. 45, 8882-8886.], 2009[Chen, S.-C., Zhang, Z.-H., Chen, Q., Gao, H.-B., Liu, Q., He, M.-Y. & Du, M. (2009). Inorg. Chem. Commun. 12, 835-838.]); Hulvey, Ayala et al. (2009[Hulvey, Z., Ayala, E., Furman, J. D., Forster, P. M. & Cheetham, A. K. (2009). Cryst. Growth Des. 9, 4759-4765.]); Hulvey, Ayala & Cheetham et al. (2009[Hulvey, Z., Ayala, E. & Cheetham, A. K. (2009). Z. Anorg. Allg. Chem. 635, 1753-1757.]); Hulvey, Falco et al. (2009[Hulvey, Z., Falco, E. H. L., Eckert, J. & Cheetham, A. K. (2009). J. Mater. Chem. 19, 4307-4309.]); Hulvey et al. (2011[Hulvey, Z., Sava, D. A., Eckert, J. & Cheetham, A. K. (2011). Inorg. Chem. 50, 403-405.]); Kitaura et al. (2004[Kitaura, R., Iwahori, F., Matsuda, R., Kitagawa, S., Kubota, Y., Takata, M. & Kobayashi, T. C. (2004). Inorg. Chem. 43, 6522-6524.]); MacNeill et al. (2011[MacNeill, C. M., Day, C. S., Marts, A., Lachgar, A. & Noftle, R. E. (2011). Inorg. Chim. Acta, 365, 196-203.]); Mikhalyova et al. (2011[Mikhalyova, E. A., Kolotilov, S. V., Zeller, M., Thompson, L. K., Addison, A. W., Pavlishchuk, V. V. & Hunter, A. D. (2011). Dalton Trans. 40, 10989-10996.]); Seidel et al. (2011[Seidel, C., Ahlers, R. & Ruschewitz, U. (2011). Cryst. Growth Des. 11, 5053-5063.]); Seidel et al. (2012[Seidel, C., Lorbeer, C., Cybinska, J., Mudring, A.-V. & Ruschewitz, U. (2012). Inorg. Chem. 51, 4679-4688.]); 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.]); Zhu et al. (2009[Zhu, E., Liu, Q., Chen, Q., He, M., Chen, S., Zhang, Z. & Huang, H. (2009). J. Coord. Chem. 62, 2449-2456.]).

[Scheme 1]

Experimental

Crystal data
  • [Cd(C8F4O4)(C2H6O)2]

  • Mr = 440.61

  • Triclinic, [P \overline 1]

  • a = 4.8367 (3) Å

  • b = 9.0903 (6) Å

  • c = 9.4078 (6) Å

  • [alpha] = 108.091 (1)°

  • [beta] = 100.637 (1)°

  • [gamma] = 102.275 (1)°

  • V = 369.95 (4) Å3

  • Z = 1

  • Mo K[alpha] radiation

  • [mu] = 1.55 mm-1

  • T = 173 K

  • 0.35 × 0.20 × 0.06 mm

Data collection
  • Bruker SMART APEX CCD diffractometer

  • Absorption correction: multi-scan (SADABS; Bruker, 2001[Bruker (2001). SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]) Tmin = 0.613, Tmax = 0.913

  • 2308 measured reflections

  • 1576 independent reflections

  • 1569 reflections with I > 2[sigma](I)

  • Rint = 0.014

Refinement
  • R[F2 > 2[sigma](F2)] = 0.020

  • wR(F2) = 0.054

  • S = 1.11

  • 1576 reflections

  • 131 parameters

  • 6 restraints

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

  • [Delta][rho]max = 0.40 e Å-3

  • [Delta][rho]min = -0.54 e Å-3

Table 1
Selected bond lengths (Å)

Cd1-O1 2.2526 (15)
Cd1-O2i 2.3194 (15)
Cd1-O3 2.2929 (18)
Symmetry code: (i) x+1, y, z.

Table 2
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
O3-H3OA...O2ii 0.85 (1) 1.94 (2) 2.719 (2) 152 (4)
O3-H3OB...F2i 0.85 (1) 2.40 (2) 3.196 (2) 156 (4)
Symmetry codes: (i) x+1, y, z; (ii) -x+2, -y+1, -z+2.

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: XU5740 ).


Acknowledgements

This research was supported by the Ministry of Knowledge Economy (MKE) and the Korea Institute for Advancement in Technology (KIAT) through the Workforce Development Program in Strategic Technology.

References

Bruker (2001). SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.
Bruker (2007). SMART and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.
Chen, B., Yang, Y., Zapata, F., Qian, G., Luo, Y., Zhang, J. & Lobkovsky, E. B. (2006). Inorg. Chem. 45, 8882-8886.  [Web of Science] [CSD] [CrossRef] [PubMed] [ChemPort]
Chen, S.-C., Zhang, Z.-H., Chen, Q., Gao, H.-B., Liu, Q., He, M.-Y. & Du, M. (2009). Inorg. Chem. Commun. 12, 835-838.  [Web of Science] [CSD] [CrossRef] [ChemPort]
Hulvey, Z., Ayala, E. & Cheetham, A. K. (2009). Z. Anorg. Allg. Chem. 635, 1753-1757.  [CSD] [CrossRef] [ChemPort]
Hulvey, Z., Ayala, E., Furman, J. D., Forster, P. M. & Cheetham, A. K. (2009). Cryst. Growth Des. 9, 4759-4765.  [CSD] [CrossRef] [ChemPort]
Hulvey, Z., Falco, E. H. L., Eckert, J. & Cheetham, A. K. (2009). J. Mater. Chem. 19, 4307-4309.  [Web of Science] [CSD] [CrossRef] [ChemPort]
Hulvey, Z., Sava, D. A., Eckert, J. & Cheetham, A. K. (2011). Inorg. Chem. 50, 403-405.  [Web of Science] [CSD] [CrossRef] [ChemPort]
Kitaura, R., Iwahori, F., Matsuda, R., Kitagawa, S., Kubota, Y., Takata, M. & Kobayashi, T. C. (2004). Inorg. Chem. 43, 6522-6524.  [Web of Science] [CSD] [CrossRef] [PubMed] [ChemPort]
MacNeill, C. M., Day, C. S., Marts, A., Lachgar, A. & Noftle, R. E. (2011). Inorg. Chim. Acta, 365, 196-203.  [Web of Science] [CSD] [CrossRef] [ChemPort]
Mikhalyova, E. A., Kolotilov, S. V., Zeller, M., Thompson, L. K., Addison, A. W., Pavlishchuk, V. V. & Hunter, A. D. (2011). Dalton Trans. 40, 10989-10996.  [CSD] [CrossRef] [ChemPort] [PubMed]
Seidel, C., Ahlers, R. & Ruschewitz, U. (2011). Cryst. Growth Des. 11, 5053-5063.  [CSD] [CrossRef] [ChemPort]
Seidel, C., Lorbeer, C., Cybinska, J., Mudring, A.-V. & Ruschewitz, U. (2012). Inorg. Chem. 51, 4679-4688.  [Web of Science] [CSD] [CrossRef] [ChemPort] [PubMed]
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]
Zhu, E., Liu, Q., Chen, Q., He, M., Chen, S., Zhang, Z. & Huang, H. (2009). J. Coord. Chem. 62, 2449-2456.  [Web of Science] [CSD] [CrossRef] [ChemPort]


Acta Cryst (2013). E69, m577-m578   [ doi:10.1107/S1600536813026287 ]

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