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Volume 68 
Part 1 
Page m70  
January 2012  

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

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)

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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