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Volume 68 
Part 1 
Page m70  
January 2012  

Received 9 December 2011
Accepted 13 December 2011
Online 21 December 2011

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Key indicators
Single-crystal X-ray study
T = 293 K
Mean [sigma](N-C) = 0.003 Å
R = 0.034
wR = 0.084
Data-to-parameter ratio = 26.6
Details
Open access

Bis(1,1-dimethylguanidinium) tetraaquadimethyltin(IV) bis(sulfate)

Mouhamadou Sembene Boye,a* Aminata Diasse-Sarr,a Eric Lebraudb and Philippe Guionneaub

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

Single crystals of the title salt, (C3H10N3)2[Sn(CH3)2(H2O)4](SO4)2, formed concomitantly with the already known [Sn(CH3)3]2SO4·2H2O. In the title structure, the SnIV atom displays a slightly distorted octahedral coordination geometry defined by four O water atoms in the equatorial positions and two methyl groups in the axial positions. In the crystal, various O-H...O and N-H...O hydrogen-bonding interactions between the organic cation and the coordinated water molecules as donors and the sulfate O atoms as acceptors result in a three-dimensional structure. The SnIV atom is located on an inversion centre, resulting in half of the complex metal cation being in the asymmetric unit.

Related literature

For applications of tin-based materials, see: Molloy & Purcell (1986[Molloy, K. C. & Purcell, T. G. (1986). J. Organomet. Chem. 312, 167-176.]); Dutrecq et al. (1992[Dutrecq, A., Willem, R., Biesemans, M., Boualam, M., Meriem, A. & Gielen, M. (1992). Main Group Met. Chem. 15, 285-291.]); Gielen (2005[Gielen, M. (2005). Appl. Organomet. Chem. 19, 440-450.]). For oxoanion ligands, see: Boye & Diasse-Sarr (2007[Boye, M. S. & Diasse-Sarr, A. (2007). C. R. Chim. 10, 466-468.]) and references therein. For [(Sn(CH3)3)2SO4].2H2O, see: Molloy et al. (1989[Molloy, K. C., Quill, K., Cunningham, D., McArdle, P. & Higgins, T. (1989). J. Chem. Soc. Dalton Trans. pp 267-273.]).

[Scheme 1]

Experimental

Crystal data

  • (C3H10N3)2[Sn(CH3)2(H2O)4](SO4)2

  • Mr = 589.26

  • Monoclinic, P 21 /n

  • a = 6.683 (1) Å

  • b = 12.609 (2) Å

  • c = 13.469 (2) Å

  • [beta] = 99.207 (10)°

  • V = 1120.4 (3) Å3

  • Z = 2

  • Mo K[alpha] radiation

  • [mu] = 1.39 mm-1

  • T = 293 K

  • 0.25 × 0.12 × 0.10 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 = 0.722, Tmax = 0.873

  • 13961 measured reflections

  • 4462 independent reflections

  • 3306 reflections with I > 2[sigma](I)

  • Rint = 0.048
Refinement

  • R[F2 > 2[sigma](F2)] = 0.034

  • wR(F2) = 0.084

  • S = 1.07

  • 4462 reflections

  • 168 parameters

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

  • [Delta][rho]max = 1.51 e Å-3

  • [Delta][rho]min = -1.17 e Å-3

Table 1
Selected bond lengths (Å)

Sn1-C1 2.094 (2)
Sn1-O3 2.2140 (16)
Sn1-O2 2.2240 (17)

Table 2
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
O2-H22...O13i 0.79 (4) 1.90 (4) 2.680 (2) 169 (4)
O2-H12...O12ii 0.72 (4) 1.91 (4) 2.627 (2) 175 (4)
O3-H23...O11iii 0.73 (3) 1.91 (3) 2.629 (3) 168 (3)
O3-H13...O10iv 0.91 (3) 1.71 (3) 2.615 (2) 172 (3)
N2-H2N...O13v 0.79 (3) 2.10 (3) 2.887 (2) 174 (3)
N3-H3N...O12v 0.87 (3) 2.04 (3) 2.899 (3) 172 (2)
N2-H1N...O10iv 0.82 (3) 2.14 (3) 2.918 (3) 160 (2)
N3-H4N...O11vi 0.82 (3) 2.17 (3) 2.956 (3) 160 (3)
Symmetry codes: (i) [-x+{\script{3\over 2}}, y-{\script{1\over 2}}, -z+{\script{3\over 2}}]; (ii) x-1, y, z; (iii) [x-{\script{3\over 2}}, -y+{\script{3\over 2}}, z-{\script{1\over 2}}]; (iv) [x-{\script{1\over 2}}, -y+{\script{3\over 2}}, z-{\script{1\over 2}}]; (v) -x+2, -y+2, -z+1; (vi) [-x+{\script{5\over 2}}, y+{\script{1\over 2}}, -z+{\script{3\over 2}}].

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, 1997[Farrugia, L. J. (1997). J. Appl. Cryst. 30, 565.]); 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: WM2575 ).

References

Boye, M. S. & Diasse-Sarr, A. (2007). C. R. Chim. 10, 466-468.
Dutrecq, A., Willem, R., Biesemans, M., Boualam, M., Meriem, A. & Gielen, M. (1992). Main Group Met. Chem. 15, 285-291.  [ChemPort]
Farrugia, L. J. (1997). J. Appl. Cryst. 30, 565.  [CrossRef] [details]
Gielen, M. (2005). Appl. Organomet. Chem. 19, 440-450.  [ISI] [CrossRef] [ChemPort]
Molloy, K. C. & Purcell, T. G. (1986). J. Organomet. Chem. 312, 167-176.  [CrossRef] [ChemPort]
Molloy, K. C., Quill, K., Cunningham, D., McArdle, P. & Higgins, T. (1989). J. Chem. Soc. Dalton Trans. pp 267-273.
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]

Acta Cryst (2012). E68, m70  [ doi:10.1107/S1600536811053761 ]

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