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Volume 69 
Part 2 
Pages m110-m111  
February 2013  

Received 29 November 2012
Accepted 8 January 2013
Online 19 January 2013

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Key indicators
Single-crystal X-ray study
T = 150 K
Mean [sigma](C-C) = 0.002 Å
R = 0.022
wR = 0.054
Data-to-parameter ratio = 43.6
Details
Open access

Poly[diaqua([mu]4-carboxylatomethylphosphonato)([mu]4-carboxymethylphosphonato)pentadecamethylpentatin(IV)]

Mouhamadou Sembene Boye,a* Aminata Diasse-Sarr,a Arnaud Grosjeanb and Philippe Guionneaub

aDepartement de Chimie, Faculte des Sciences et Techniques, Universite Cheikh Anta, Diop, Dakar, Senegal, and bCNRS, Univ. Bordeaux, ICMCB, UPR 9048, 87 avenue du Dr A. Schweitzer, F-33608 Pessac, France
Correspondence e-mail: mouhasboye@hotmail.com

The central SnIV atom of the pentanuclear title complex, {[Sn(CH3)3]3O2C(CH2)PO3[Sn(CH3)3(H2O)]2HO2C(CH2)PO3}, is located on a twofold rotation axis; due to symmetry, the H atom of the carboxyl group of the anion is disordered with a site occupancy of 0.5. The central SnIV atom is bonded to three methyl groups (one of which is disordered about the twofold rotation axis) and is symmetrically trans coordinated by two phosphonate groups with Sn-O = 2.2665 (12) Å while the other SnMe3 residues are asymmetrically trans coordinated with Sn-O = 2.1587 (12) and 2.3756 (13) Å for one residue and Sn-O = 2.1522 (12) and 2.4335 (12) Å for the other; the Sn-O distances involving two O atoms trans to carboxylate are longer than those trans to phosphonate groups. The Sn-C distances lie in a very narrow range [2.112 (2)-2.133 (3) Å]. The oxyanion behaves as a tetra-coordinating ligand. The bridging mode of the latter leads to the formation of layers parallel to (001) that are interconnected by O-H...O and C-H...O hydrogen bonds.

Related literature

For applications of tin-based materials, see: Dutrecq et al. (1992[Dutrecq, A., Willem, R., Biesemans, M., Boualam, M., Meriem, A. & Gielen, M. (1992). Main Group Met. Chem. 15, 285-291.]); Basu Baul et al. (2011[Basu Baul, T. S., Paul, A., Pellerito, L., Scopelliti, M., Singh, P., Duthie, A., Devos, D. & Tiekink, E. R. T. (2011). Invest. New Drugs, 29, 285-299.]). For related structures, see: Zhang et al. (2010[Zhang, R., Wu, J. & Ma, C. (2010). J. Inorg. Organomet. Polym. 20, 405-410.]).

[Scheme 1]

Experimental

Crystal data

  • [Sn5(CH3)15(C2H2O5P)(C2H3O5P)(H2O)2]

  • Mr = 1130.01

  • Monoclinic, C 2/c

  • a = 11.6939 (2) Å

  • b = 13.1689 (3) Å

  • c = 25.9575 (5) Å

  • [beta] = 95.40 (1)°

  • V = 3979.61 (14) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 3.22 mm-1

  • T = 150 K

  • 0.32 × 0.15 × 0.15 mm
Data collection

  • Nonius KappaCCD diffractometer

  • Absorption correction: multi-scan (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.]) Tmin = 0.426, Tmax = 0.644

  • 15302 measured reflections

  • 7932 independent reflections

  • 7236 reflections with I > 2[sigma](I)

  • Rint = 0.020
Refinement

  • R[F2 > 2[sigma](F2)] = 0.022

  • wR(F2) = 0.054

  • S = 1.09

  • 7932 reflections

  • 182 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 1.14 e Å-3

  • [Delta][rho]min = -0.85 e Å-3

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
O6-H1O...O5i 0.89 1.83 2.693 (2) 164
O6-H2O...O1i 0.85 1.88 2.706 (2) 161
C9-H9A...O4ii 0.99 2.51 3.227 (2) 129
Symmetry codes: (i) [x-{\script{1\over 2}}, y+{\script{1\over 2}}, z]; (ii) [-x+{\script{1\over 2}}, -y+{\script{3\over 2}}, -z].

Data collection: COLLECT (Nonius, 2003[Nonius (2003). 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.]); 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 (Farrugia, 2012[Farrugia, L. J. (2012). J. Appl. Cryst. 45, 849-854.]); 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: PV2611 ).

References

Basu Baul, T. S., Paul, A., Pellerito, L., Scopelliti, M., Singh, P., Duthie, A., Devos, D. & Tiekink, E. R. T. (2011). Invest. New Drugs, 29, 285-299.  [ISI] [CrossRef] [ChemPort] [PubMed]
Dutrecq, A., Willem, R., Biesemans, M., Boualam, M., Meriem, A. & Gielen, M. (1992). Main Group Met. Chem. 15, 285-291.  [ChemPort]
Farrugia, L. J. (2012). J. Appl. Cryst. 45, 849-854.  [ISI] [CrossRef] [ChemPort] [details]
Nonius (2003). 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.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Westrip, S. P. (2010). J. Appl. Cryst. 43, 920-925.  [ISI] [CrossRef] [ChemPort] [details]
Zhang, R., Wu, J. & Ma, C. (2010). J. Inorg. Organomet. Polym. 20, 405-410.  [ISI] [CSD] [CrossRef]

Acta Cryst (2013). E69, m110-m111   [ doi:10.1107/S1600536813000676 ]

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