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Volume 69 
Part 9 
Pages m493-m494  
September 2013  

Received 29 July 2013
Accepted 12 August 2013
Online 17 August 2013

Key indicators
Single-crystal X-ray study
T = 100 K
Mean [sigma](C-C) = 0.004 Å
R = 0.024
wR = 0.060
Data-to-parameter ratio = 21.1
Details
Open access

Poly[di-[mu]-aqua-diaquabis([mu]7-oxalato-[kappa]9O1:O1:O1,O2:O2:O2':O2',O1':O1')calciumdicaesium]

aLaboratoire de Cristallographie-Thermodynamique, Faculté de Chimie USTHB BP 32 El-Alia, Bab Ezzouar 16111, Alger, Algeria, and bCRM2 UMR-CNRS 7036 Jean Barriol Institut, Lorraine Université BP 230, 54506 Vandoeuvre-lés-Nancy Cedex, France
Correspondence e-mail: guehria_laidoudi@yahoo.fr

In the title compound, [CaCs2(C2O4)2(H2O)4]n, the Ca2+ ion, lying on a twofold rotation axis, is coordinated by four O atoms from two oxalate ligands and two bridging water molecules in an octahedral geometry. The Cs+ ion is coordinated by seven O atoms from six oxalate ligands, one bridging water and one terminal water molecule. The oxalate ligand displays a scarce high denticity. The structure contains parallel chain units runnig along [10-1], formed by two edge-sharing Cs polyhedra connected by CsO9 polyhedra connected by a face-sharing CaO6 octahedron. These chains are further linked by the oxalate ligands to build up a three-dimensional framework. O-H...O hydrogen bonds involving the water molecules and the carboxylate O atoms enhance the extended structure.

Related literature

For related compounds or structures, see: Chen et al. (2008[Chen, X.-A., Song, F.-P., Chang, X.-A., Zang, H.-G. & Xiao, W.-Q. (2008). Acta Cryst. E64, m983.]); Hursthouse et al. (2004[Hursthouse, M. B., Light, M. E. & Price, D. J. (2004). Angew. Chem. Int. Ed. 43, 472-475.]); Kolitsch (2004[Kolitsch, U. (2004). Acta Cryst. C60, m129-m133.]); Price et al. (1999[Price, D. J., Powell, A. K. & Wood, P. T. (1999). Polyhedron, 18, 2499-2503.]); Schwendtner & Kolitsch (2004[Schwendtner, K. & Kolitsch, U. (2004). Acta Cryst. E60, m659-m661.]); Wu & Liu (2010[Wu, J. & Liu, J. Q. (2010). Synth. React. Inorg. Met. Org. Nano-Met. Chem. 40, 237-240.]).

[Scheme 1]

Experimental

Crystal data
  • [CaCs2(C2O4)2(H2O)4]

  • Mr = 554.00

  • Monoclinic, C 2/c

  • a = 16.8808 (4) Å

  • b = 7.3212 (2) Å

  • c = 13.5268 (3) Å

  • [beta] = 128.364 (1)°

  • V = 1310.79 (6) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 6.01 mm-1

  • T = 100 K

  • 0.26 × 0.22 × 0.16 mm

Data collection
  • Agilent Xcalibur EOS CCD diffractometer

  • Absorption correction: multi-scan (CrysAlis PRO; Agilent, 2012[Agilent (2012). CrysAlis PRO. Agilent Technologies, Yarnton, Oxfordshire, England.]) Tmin = 0.229, Tmax = 0.382

  • 14337 measured reflections

  • 2196 independent reflections

  • 2189 reflections with I > 2[sigma](I)

  • Rint = 0.056

Refinement
  • R[F2 > 2[sigma](F2)] = 0.024

  • wR(F2) = 0.060

  • S = 1.25

  • 2196 reflections

  • 104 parameters

  • 6 restraints

  • All H-atom parameters refined

  • [Delta][rho]max = 1.65 e Å-3

  • [Delta][rho]min = -1.14 e Å-3

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
O1W-H1...O2i 0.81 (7) 1.91 (7) 2.714 (4) 172 (6)
O1W-H2...O3ii 0.81 (4) 1.95 (4) 2.736 (2) 163 (7)
O2W-H3...O1Wiii 0.82 (3) 1.89 (3) 2.680 (2) 164 (5)
O2W-H4...O4iv 0.81 (4) 1.92 (3) 2.724 (3) 176 (7)
Symmetry codes: (i) [-x, y, -z+{\script{1\over 2}}]; (ii) -x, -y, -z; (iii) -x, -y+1, -z; (iv) [-x+{\script{1\over 2}}, -y+{\script{1\over 2}}, -z+1].

Data collection: CrysAlis PRO (Agilent, 2012[Agilent (2012). CrysAlis PRO. Agilent Technologies, Yarnton, Oxfordshire, England.]); cell refinement: CrysAlis PRO; data reduction: CrysAlis PRO; 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: ORTEP-3 for Windows (Farrugia, 2012[Farrugia, L. J. (2012). J. Appl. Cryst. 45, 849-854.]) and DIAMOND (Brandenburg, 1999[Brandenburg, K. (1999). DIAMOND. Crystal Impact GbR, Bonn, Germany.]); software used to prepare material for publication: WinGX (Farrugia, 2012[Farrugia, L. J. (2012). J. Appl. Cryst. 45, 849-854.]).


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: HY2635 ).


Acknowledgements

The authors thank E. Wenger, Service Commun de Diffractométrie, CRM2 UMR-CNRS 7036, Jean Barriol Institut, Lorraine Université BP 230, 54506 Vandoeuvre-lés-Nancy Cedex France, for X-ray data collection. We are grateful for financial support from the project CMEP-TASSILI programme (MESRS-Algeria and MDU-France).

References

Agilent (2012). CrysAlis PRO. Agilent Technologies, Yarnton, Oxfordshire, England.
Brandenburg, K. (1999). DIAMOND. Crystal Impact GbR, Bonn, Germany.
Chen, X.-A., Song, F.-P., Chang, X.-A., Zang, H.-G. & Xiao, W.-Q. (2008). Acta Cryst. E64, m983.  [CSD] [CrossRef] [details]
Farrugia, L. J. (2012). J. Appl. Cryst. 45, 849-854.  [ISI] [CrossRef] [ChemPort] [details]
Hursthouse, M. B., Light, M. E. & Price, D. J. (2004). Angew. Chem. Int. Ed. 43, 472-475.  [ISI] [CSD] [CrossRef] [ChemPort]
Kolitsch, U. (2004). Acta Cryst. C60, m129-m133.  [CSD] [CrossRef] [details]
Price, D. J., Powell, A. K. & Wood, P. T. (1999). Polyhedron, 18, 2499-2503.  [ISI] [CSD] [CrossRef] [ChemPort]
Schwendtner, K. & Kolitsch, U. (2004). Acta Cryst. E60, m659-m661.  [CSD] [CrossRef] [ChemPort] [details]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [ChemPort] [details]
Wu, J. & Liu, J. Q. (2010). Synth. React. Inorg. Met. Org. Nano-Met. Chem. 40, 237-240.  [ChemPort]


Acta Cryst (2013). E69, m493-m494   [ doi:10.1107/S1600536813022654 ]

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