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Volume 68 
Part 1 
Pages m71-m72  
January 2012  

Received 9 December 2011
Accepted 12 December 2011
Online 21 December 2011

Key indicators
Single-crystal X-ray study
T = 120 K
Mean [sigma](C-C) = 0.003 Å
R = 0.016
wR = 0.039
Data-to-parameter ratio = 13.3
Details
Open access

Bis([mu]-pyridine-2,3-dicarboxylato)bis[aqua(3-carboxypyridine-2-carboxylato)indium(III)] tetrahydrate

aDepartment of Chemistry, Ferdowsi University of Mashhad, 917791436 Mashhad, Iran,bDepartment of Chemistry, Faculty of Science, Masaryk University, Kamenice 5, Brno 625 00, Czech Republic, and cDepartment of Chemistry, Tulane University, New Orleans, LA 70118, USA
Correspondence e-mail: joelt@tulane.edu

In the binuclear centrosymmetric title compound, [In2(C7H3NO4)2(C7H4NO4)2(H2O)2]·4H2O, which contains both pyridine-2,3-dicarboxylate and 3-carboxypyridine-2-carboxylate ligands, the InIII atom is six-coordinated in a distorted octahedral geometry. One pyridine ligand is N,O-chelated while the other is N,O-chelated and at the same time bridging to the other via the second carboxyl group. In the crystal, an extensive O-H...O hydrogen-bonding network, involving the coordinated and lattice water molecules and the carboxyl groups of the ligands, together with C-H...O and [pi]-[pi] interactions [centroid-centroid distance = 3.793 (1) Å], leads to the formation of a three-dimensional structure.

Related literature

For metal complexes with polycarboxylate ligands, see: Aghabozorg, Daneshvar et al. (2007[Aghabozorg, H., Daneshvar, S., Motyeian, E., Ghadermazi, M. & Attar Gharamaleki, J. (2007). Acta Cryst. E63, m2468-m2469.]); Aghabozorg, Khadivi et al. (2008[Aghabozorg, H., Khadivi, R., Ghadermazi, M., Pasdar, H. & Hooshmand, S. (2008). Acta Cryst. E64, m267-m268.]); Aghabozorg, Ramezanipour et al. (2006[Aghabozorg, H., Ramezanipour, F., Kheirollahi, P., Saeia, A. A., Shokrollahi, A., Shamsipur, M., Manteghi, F., Soleimannejad, J. & Sharif, M. A. (2006). Z. Anorg. Allg. Chem. 632, 147-154.]); Eshtiagh-Hosseini et al. (2010[Eshtiagh-Hosseini, H., Hassanpoor, A., Alfi, N., Mirzaei, M., Fromm, K. M., Shokrollahi, A., Gschwind, F. & Karami, E. (2010). J. Coord. Chem. 63, 3175-3186.]); Mirzaei et al. (2011[Mirzaei, M., Aghabozorg, H. & Eshtiagh-Hosseini, H. (2011). J. Iran. Chem. Soc. 8, 580-607.]). For examples of self-assembly, see: Kondo et al. (1999[Kondo, M., Okubo, T., Asami, A., Noro, S. I., Yoshitomi, T., Kitagawa, S., Ishii, T., Matsuzaka, H. & Seki, K. (1999). Angew. Chem. Int. Ed. 38, 140-143.]); Beobide et al. (2006[Beobide, G., Castillo, O., Luque, A., García-Couceiro, U., García -Terán, J. P. & Román, P. (2006). Inorg. Chem. 45, 5367-5382.]). For a discussion of hard-soft acid base concepts, see: Schlemper et al. (1967[Schlemper, E. O. (1967). Inorg. Chem. 6, 2012-2017.]). For examples of [pi]-[pi] stacking, see: Janiak (2000[Janiak, C. (2000). J. Chem. Soc. Dalton Trans. pp. 3885-3896.]). For three-dimensional network structures, see: Krygowski et al. (1998[Krygowski, T. M., Grabowski, S. J. & Konarski, J. (1998). Tetrahedron, 54, 11311-11316.]).

[Scheme 1]

Experimental

Crystal data
  • [In2(C7H3NO4)2(C7H4NO4)2(H2O)2]·4H2O

  • Mr = 1000.17

  • Triclinic, [P \overline 1]

  • a = 8.0166 (3) Å

  • b = 10.0890 (4) Å

  • c = 11.9838 (5) Å

  • [alpha] = 110.069 (4)°

  • [beta] = 96.236 (3)°

  • [gamma] = 109.076 (3)°

  • V = 833.36 (6) Å3

  • Z = 1

  • Mo K[alpha] radiation

  • [mu] = 1.49 mm-1

  • T = 120 K

  • 0.40 × 0.30 × 0.30 mm

Data collection
  • Oxford Diffraction Xcalibur diffractometer with a Sapphire2 detector

  • Absorption correction: multi-scan (CrysAlis RED; Oxford Diffraction, 2009[Oxford Diffraction (2009). CrysAlis PRO. Oxford Diffraction Ltd, Yarnton, England.]) Tmin = 0.588, Tmax = 0.664

  • 10774 measured reflections

  • 3373 independent reflections

  • 3168 reflections with I > 2[sigma](I)

  • Rint = 0.013

Refinement
  • R[F2 > 2[sigma](F2)] = 0.016

  • wR(F2) = 0.039

  • S = 1.10

  • 3373 reflections

  • 254 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 0.38 e Å-3

  • [Delta][rho]min = -0.31 e Å-3

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
O9-H91...O11i 0.84 1.75 2.5938 (19) 178
O9-H92...O3i 0.84 1.80 2.6402 (17) 175
O11-H112...O7ii 0.84 1.95 2.7595 (18) 162
O10-H101...O5iii 0.84 1.97 2.8065 (18) 175
O10-H102...O7iv 0.84 1.88 2.7237 (19) 178
O4-H4O...O10 0.84 1.67 2.5124 (17) 178
C4-H4...O1v 0.95 2.35 3.231 (2) 154
C5-H5...O6vi 0.95 2.36 3.293 (2) 168
C11-H11...O3vii 0.95 2.61 3.495 (2) 156
C12-H12...O2vii 0.95 2.33 2.993 (2) 126
Symmetry codes: (i) -x+1, -y+1, -z+1; (ii) x, y-1, z-1; (iii) x, y, z-1; (iv) -x+1, -y+2, -z+1; (v) x-1, y, z; (vi) -x+1, -y+2, -z+2; (vii) -x+2, -y+2, -z+1.

Data collection: CrysAlis CCD (Oxford Diffraction, 2009[Oxford Diffraction (2009). CrysAlis PRO. Oxford Diffraction Ltd, Yarnton, England.]); cell refinement: CrysAlis CCD; data reduction: CrysAlis RED (Oxford Diffraction, 2009[Oxford Diffraction (2009). CrysAlis PRO. Oxford Diffraction Ltd, Yarnton, England.]); 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: SU2349 ).


Acknowledgements

The authors wish to thank to the Ferdowsi University of Mashhad for financial support (grant No. P/2098).

References

Aghabozorg, H., Daneshvar, S., Motyeian, E., Ghadermazi, M. & Attar Gharamaleki, J. (2007). Acta Cryst. E63, m2468-m2469.  [CSD] [CrossRef] [details]
Aghabozorg, H., Khadivi, R., Ghadermazi, M., Pasdar, H. & Hooshmand, S. (2008). Acta Cryst. E64, m267-m268.  [CSD] [CrossRef] [details]
Aghabozorg, H., Ramezanipour, F., Kheirollahi, P., Saeia, A. A., Shokrollahi, A., Shamsipur, M., Manteghi, F., Soleimannejad, J. & Sharif, M. A. (2006). Z. Anorg. Allg. Chem. 632, 147-154.  [CSD] [CrossRef] [ChemPort]
Beobide, G., Castillo, O., Luque, A., García-Couceiro, U., García -Terán, J. P. & Román, P. (2006). Inorg. Chem. 45, 5367-5382.  [CSD] [CrossRef] [PubMed] [ChemPort]
Eshtiagh-Hosseini, H., Hassanpoor, A., Alfi, N., Mirzaei, M., Fromm, K. M., Shokrollahi, A., Gschwind, F. & Karami, E. (2010). J. Coord. Chem. 63, 3175-3186.  [ChemPort]
Janiak, C. (2000). J. Chem. Soc. Dalton Trans. pp. 3885-3896.  [CrossRef]
Kondo, M., Okubo, T., Asami, A., Noro, S. I., Yoshitomi, T., Kitagawa, S., Ishii, T., Matsuzaka, H. & Seki, K. (1999). Angew. Chem. Int. Ed. 38, 140-143.  [CrossRef] [ChemPort]
Krygowski, T. M., Grabowski, S. J. & Konarski, J. (1998). Tetrahedron, 54, 11311-11316.  [ISI] [CrossRef] [ChemPort]
Mirzaei, M., Aghabozorg, H. & Eshtiagh-Hosseini, H. (2011). J. Iran. Chem. Soc. 8, 580-607.  [ChemPort]
Oxford Diffraction (2009). CrysAlis PRO. Oxford Diffraction Ltd, Yarnton, England.
Schlemper, E. O. (1967). Inorg. Chem. 6, 2012-2017.  [CrossRef] [ChemPort]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]


Acta Cryst (2012). E68, m71-m72   [ doi:10.1107/S1600536811053566 ]

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