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Volume 67 
Part 2 
Page m242  
February 2011  

Received 9 January 2011
Accepted 12 January 2011
Online 22 January 2011

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Key indicators
Single-crystal X-ray study
T = 100 K
Mean [sigma](Sn-C) = 0.004 Å
R = 0.024
wR = 0.047
Data-to-parameter ratio = 21.9
Details
Open access

Di-[mu]2-methanolato-bis([mu]-4-methyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazolido-[kappa]2N1:N2)di-[mu]3-oxido-tetrakis[dimethyltin(IV)]

Ezzatollah Najafi,a Mostafa M. Aminia and Seik Weng Ngb*

aDepartment of Chemistry, General Campus, Shahid Beheshti University, Tehran 1983963113, Iran, and bDepartment of Chemistry, University of Malaya, 50603 Kuala Lumpur, Malaysia
Correspondence e-mail: seikweng@um.edu.my

The title distannoxane, [Sn4(CH3)8(C3H4N3S)2(CH3O)2O2], lies about a center of inversion; the tetranuclear molecule features a three-rung-staircase Sn4O4 core in which the two crystallographically independent SnIV atoms are bridged by the triazolide group. The negatively charged N atom of the triazolide group binds to the terminal Sn atom at a shorter distance [Sn-N = 2.239 (2) Å] compared with the neutral N atom that binds to the central Sn atom [Sn[leftwards arrow] N = 2.757 (3) Å]. The oxide O atom is three-coordinate whereas the methanolate O atom is two-coordinate. The terminal Sn atom is five-coordinate in a cis-C3SnNO trigonal-bipyramidal environment, whereas the central Sn atom is six-coordinate in a C2SnNO3 skew-trapezoidal-bipyramidal geometry.

Related literature

For related distannoxanes, see: Ma et al. (2007[Ma, C.-L., Sun, J.-S., Zhang, R.-F. & Wang, D.-Q. (2007). J. Organomet. Chem. 692, 4029-4042.]); Yu et al. (2006[Yu, H.-X., Ma, J.-F., Xu, G.-H., Li, S.-L., Yang, J., Liu, Y.-Y. & Chen, Y.-X. (2006). J. Organomet. Chem. 691, 3531-3539.]).

[Scheme 1]

Experimental

Crystal data

  • [Sn4(CH3)8(C3H4N3S)2(CH3O)2O2]

  • Mr = 917.40

  • Triclinic, [P \overline 1]

  • a = 7.3693 (6) Å

  • b = 9.3457 (8) Å

  • c = 11.9930 (9) Å

  • [alpha] = 71.681 (7)°

  • [beta] = 76.780 (6)°

  • [gamma] = 77.118 (7)°

  • V = 753.07 (11) Å3

  • Z = 1

  • Mo K[alpha] radiation

  • [mu] = 3.45 mm-1

  • T = 100 K

  • 0.30 × 0.25 × 0.20 mm
Data collection

  • Agilent Technologies SuperNova Dual diffractometer with an Atlas detector

  • Absorption correction: multi-scan (CrysAlis PRO; Agilent Technologies, 2010[Agilent Technologies (2010). CrysAlis PRO. Agilent Technologies, Yarnton, England.]) Tmin = 0.425, Tmax = 0.546

  • 5805 measured reflections

  • 3328 independent reflections

  • 2919 reflections with I > 2[sigma](I)

  • Rint = 0.029
Refinement

  • R[F2 > 2[sigma](F2)] = 0.024

  • wR(F2) = 0.047

  • S = 0.98

  • 3328 reflections

  • 152 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 0.83 e Å-3

  • [Delta][rho]min = -0.77 e Å-3

Data collection: CrysAlis PRO (Agilent Technologies, 2010[Agilent Technologies (2010). CrysAlis PRO. Agilent Technologies, Yarnton, 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: X-SEED (Barbour, 2001[Barbour, L. J. (2001). J. Supramol. Chem. 1, 189-191.]); 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: XU5141 ).

Acknowledgements

We thank Shahid Beheshti University and the University of Malaya for supporting this study.

References

Agilent Technologies (2010). CrysAlis PRO. Agilent Technologies, Yarnton, England.
Barbour, L. J. (2001). J. Supramol. Chem. 1, 189-191.  [CrossRef] [ChemPort]
Ma, C.-L., Sun, J.-S., Zhang, R.-F. & Wang, D.-Q. (2007). J. Organomet. Chem. 692, 4029-4042.  [CrossRef] [ChemPort]
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]
Yu, H.-X., Ma, J.-F., Xu, G.-H., Li, S.-L., Yang, J., Liu, Y.-Y. & Chen, Y.-X. (2006). J. Organomet. Chem. 691, 3531-3539.  [CrossRef] [ChemPort]

Acta Cryst (2011). E67, m242  [ doi:10.1107/S1600536811001905 ]

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