[Journal logo]

Volume 64 
Part 12 
Pages m1566-m1567  
December 2008  

Received 21 October 2008
Accepted 7 November 2008
Online 20 November 2008

[dn2395sup1]
[3d view]

[Cited in]
[Download citation]
Key indicators
Single-crystal X-ray study
T = 296 K
Mean [sigma](C-C) = 0.004 Å
R = 0.023
wR = 0.058
Data-to-parameter ratio = 15.8
Details
Open access

Poly[tetraaqua-[mu]4-squarato-di-[mu]3-squarato-disamarium(III)]

Hocine Akkari,a,d* Sofiane Bouacida,b,d Patricia Bénard-Rocherullé,c Hocine Merazigd and Thierry Roisnelc

aDépartement de Chimie, Faculté des Sciences, Université du 20 août 1955-Skikda, route d'El-Hadaïk, BP 26, 21000 Skikda, Algeria,bDépartement de Chimie, Faculté des Sciences et Sciences de l'Ingénieur, Université A. Mira de Béjaia, Route Targua Ouzmour 06000 Béjaia, Algeria,cSciences Chimiques de Rennes (UMR CNRS 6226), Université de Rennes 1, Avenue du Général Leclerc, 35042 Rennes Cedex, France, and dLaboratoire de Chimie Moléculaire, du Contrôle de l'Environnement et de Mesures Physico-Chimiques, Département de Chimie, Faculté des Sciences Exactes, Université Mentouri 25000 Constantine, Algeria
Correspondence e-mail: hocine.akkari@caramail.com

The structure of the title compound, [Sm2(C4O4)3(H2O)4]n, consists of infinite-chain structural units, built from edge-sharing samarium SmO7(H2O)2 polyhedra and linked via bis-monodendate squarate (sq1) groups. The chains extend along [100] in a zigzag mode and are interconnected by bis-chelating squarate (sq2) ligands into layers parallel to (101). Interlayer hydrogen bonds strengthen the cohesion of the three-dimensional network. The samarium cation is coordinated by four O atoms from sq1 units and three O atoms from sq2 units, in addition to two water O atoms. The best representation of the samarium SmO7(H2O)2 polyhedron is distorted tricapped trigonal-prismatic. The sq1 ligand has one metal-free O atom and relates three Sm atoms in a bis-monodentate and chelation fashion, the second squarate, sq2, is strictly centrosymmetric and acts as a bis-chelating ligand.

Related literature

For lanthanide squarates, see: Trombe et al. (1988[Trombe, J.-C., Petit, J.-F. & Gleizes, A. (1988). New J. Chem. 12, 197-200.], 1990[Trombe, J.-C., Petit, J.-F. & Gleizes, A. (1990). Inorg. Chim. Acta, 167, 69-81.]); Petit et al. (1990[Petit, J.-F., Gleizes, A. & Trombe, J.-C. (1990). Inorg. Chim. Acta, 167, 51-68.]).

[Scheme 1]

Experimental

Crystal data

  • [Sm2(C4O4)3(H2O)4]

  • Mr = 708.88

  • Monoclinic, P 21 /c

  • a = 7.0824 (1) Å

  • b = 16.7725 (3) Å

  • c = 6.9066 (1) Å

  • [beta] = 101.585 (1)°

  • V = 803.72 (2) Å3

  • Z = 2

  • Mo K[alpha] radiation

  • [mu] = 7.33 mm-1

  • T = 296 (2) K

  • 0.15 × 0.14 × 0.14 mm
Data collection

  • Nonius KappaCCD diffractometer

  • Absorption correction: none

  • 3906 measured reflections

  • 2340 independent reflections

  • 2199 reflections with I > 2[sigma](I)

  • Rint = 0.029
Refinement

  • R[F2 > 2[sigma](F2)] = 0.023

  • wR(F2) = 0.058

  • S = 1.08

  • 2340 reflections

  • 148 parameters

  • 6 restraints

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

  • [Delta][rho]max = 1.54 e Å-3

  • [Delta][rho]min = -1.96 e Å-3

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
O2W-H2W2...O2i 0.94 (4) 1.78 (4) 2.716 (3) 173 (4)
O1W-H1W1...O2ii 0.92 (2) 1.97 (3) 2.882 (3) 171 (4)
O2W-H1W2...O6iii 0.94 (4) 1.96 (4) 2.865 (3) 162 (4)
O1W-H2W1...O3i 0.94 (4) 1.90 (4) 2.834 (3) 179 (5)
Symmetry codes: (i) [x-1, -y+{\script{1\over 2}}, z-{\script{1\over 2}}]; (ii) [x, -y+{\script{1\over 2}}, z-{\script{1\over 2}}]; (iii) x, y, z-1.

Data collection: COLLECT (Nonius, 1998[Nonius (1998). COLLECT. Nonius BV, Delft The Netherlands.]); cell refinement: SCALEPACK (Otwinowski & Minor, 1997[Otwinowski, Z. & Minor, W. (1997). Methods in Enzymology, Vol. 276, Macromolecular Crystallography, Part A, edited by C. W. Carter Jr & R. M. Sweet, pp. 307-326. New York: Academic Press.]); data reduction: DENZO (Otwinowski & Minor, 1997[Otwinowski, Z. & Minor, W. (1997). Methods in Enzymology, Vol. 276, Macromolecular Crystallography, Part A, edited by C. W. Carter Jr & R. M. Sweet, pp. 307-326. New York: Academic Press.]) and SCALEPACK; program(s) used to solve structure: SIR2002 (Burla et al., 2003[Burla, M. C., Camalli, M., Carrozzini, B., Cascarano, G. L., Giacovazzo, C., Polidori, G. & Spagna, R. (2003). J. Appl. Cryst. 36, 1103.]); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); molecular graphics: ORTEP-3 (Farrugia, 1997[Farrugia, L. J. (1997). J. Appl. Cryst. 30, 565.]) and DIAMOND (Brandenburg & Berndt, 2001[Brandenburg, K. & Berndt, M. (2001). DIAMOND. Crystal Impact GbR, Bonn, Germany.]); software used to prepare material for publication: WinGX (Farrugia, 1999[Farrugia, L. J. (1999). J. Appl. Cryst. 32, 837-838.]).

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: DN2395 ).

Acknowledgements

The authors are grateful to université de Rennes 1 for access to Centre de Diffractométrie X, CDIFX, available at the laboratoire des Sciences Chimiques de Rennes. HA is indebted to the université du 20 août 1955-Skikda (Algeria) for financial support.

References

Brandenburg, K. & Berndt, M. (2001). DIAMOND. Crystal Impact GbR, Bonn, Germany.
Burla, M. C., Camalli, M., Carrozzini, B., Cascarano, G. L., Giacovazzo, C., Polidori, G. & Spagna, R. (2003). J. Appl. Cryst. 36, 1103.  [CrossRef] [details]
Farrugia, L. J. (1997). J. Appl. Cryst. 30, 565.  [CrossRef] [details]
Farrugia, L. J. (1999). J. Appl. Cryst. 32, 837-838.  [CrossRef] [details]
Nonius (1998). COLLECT. Nonius BV, Delft The Netherlands.
Otwinowski, Z. & Minor, W. (1997). Methods in Enzymology, Vol. 276, Macromolecular Crystallography, Part A, edited by C. W. Carter Jr & R. M. Sweet, pp. 307-326. New York: Academic Press.
Petit, J.-F., Gleizes, A. & Trombe, J.-C. (1990). Inorg. Chim. Acta, 167, 51-68.  [CrossRef] [ChemPort] [ISI]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Trombe, J.-C., Petit, J.-F. & Gleizes, A. (1988). New J. Chem. 12, 197-200.  [ChemPort]
Trombe, J.-C., Petit, J.-F. & Gleizes, A. (1990). Inorg. Chim. Acta, 167, 69-81.  [CrossRef] [ChemPort] [ISI]

Acta Cryst (2008). E64, m1566-m1567   [ doi:10.1107/S160053680803674X ]

This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.