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Volume 68 
Part 12 
Pages m1488-m1489  
December 2012  

Received 31 October 2012
Accepted 12 November 2012
Online 17 November 2012

Key indicators
Single-crystal X-ray study
T = 173 K
Mean [sigma](C-C) = 0.004 Å
R = 0.023
wR = 0.049
Data-to-parameter ratio = 21.0
Details
Open access

Bis[[mu]-O-isopropyl (4-ethoxyphenyl)dithiophosphonato-[kappa]2S:S']bis{[O-isopropyl (4-ethoxyphenyl)dithiophosphonato-[kappa]2S,S']mercury(II)}

aSchool of Chemistry and Physics, University of KwaZulu-Natal, Westville Campus, Private Bag X54001, Durban 4000, South Africa
Correspondence e-mail: vanzylw@ukzn.ac.za

The title compound, [Hg2(C11H16O2PS2)4], is a dinuclear complex with a distorted tetrahedral geometry around each HgII atom. Although the two HgII atoms are surrounded by the same ligand, two different coordination modes are observed: one is chelating and the other bridging. The Hg-S bonds form two distinct pairs of long and short bonds. One pair includes both chelating and bridging Hg-S bonds with approximately equal bond lengths of 2.4042 (8) and 2.3997 (7) Å, respectively. The other pair is significantly longer at 2.9361 (9) and 2.8105 (8) Å, respectively. This pattern forms a center of inversion through the molecule with an equal and opposite effect occurring at the other HgII atom. The S-Hg-S angles vary widely from 76.26 (2) to 154.65 (3)°, indicative of a distorted tetrahedral arrangement of the S atoms around the HgII atom. The P-S bond lengths are 1.9681 (10) and 2.0519 (11)°, clearly indicating partial double-bond character in the former. The molecule contains an inversion center situated between the two HgII atoms.

Related literature

For information on dithiophosphonate compounds, see: Van Zyl & Fackler (2000[Van Zyl, W. E. & Fackler, J. P. (2000). Phosphorus Sulfur Silicon Relat. Elem. 167, 117-132.]); Van Zyl (2010[Van Zyl, W. E. (2010). Comments Inorg. Chem. 31, 13-45.]). For examples of mercury(II) dithiophosphonate complexes, see: Gray et al. (2004a[Gray, I. P., Slawin, A. M. Z. & Woollins, J. D. (2004a). Dalton Trans. pp. 2477-2486.],b[Gray, I. P., Slawin, A. M. Z. & Woollins, J. D. (2004b). Z. Anorg. Allg. Chem. 630, 1851-1857.]); Devillanova et al. (2006[Devillanova, F., Aragoni, C., Arca, M., Hursthouse, M. B. & Huth, S. L. (2006). Univ. Southampt. Cryst. Struct. Rep. Arch. pp. 250-255.]).

[Scheme 1]

Experimental

Crystal data
  • [Hg2(C11H16O2PS2)4]

  • Mr = 1502.49

  • Triclinic, [P \overline 1]

  • a = 11.079 (3) Å

  • b = 11.985 (3) Å

  • c = 12.253 (3) Å

  • [alpha] = 62.908 (4)°

  • [beta] = 84.418 (4)°

  • [gamma] = 80.862 (4)°

  • V = 1429.5 (6) Å3

  • Z = 1

  • Mo K[alpha] radiation

  • [mu] = 5.81 mm-1

  • T = 173 K

  • 0.15 × 0.15 × 0.12 mm

Data collection
  • Bruker Kappa DUO APEXII diffractometer

  • Absorption correction: multi-scan (SADABS; Sheldrick, 1997[Sheldrick, G. M. (1997). SADABS, University of Göttingen, Germany.]) Tmin = 0.476, Tmax = 0.542

  • 34157 measured reflections

  • 6382 independent reflections

  • 5622 reflections with I > 2[sigma](I)

  • Rint = 0.077

Refinement
  • R[F2 > 2[sigma](F2)] = 0.023

  • wR(F2) = 0.049

  • S = 0.97

  • 6382 reflections

  • 304 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 0.87 e Å-3

  • [Delta][rho]min = -1.02 e Å-3

Data collection: APEX2 (Bruker, 2006[Bruker (2006). APEX2 and SAINT. Bruker AXS Inc., Madison, WI, USA.]); cell refinement: SAINT (Bruker, 2006[Bruker (2006). APEX2 and SAINT. Bruker AXS Inc., Madison, WI, USA.]); data reduction: SAINT; 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: SHELXTL (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); software used to prepare material for publication: SHELXL97.


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: FF2088 ).


Acknowledgements

The authors thank the National Research Foundation (NRF) and UKZN for financial support.

References

Bruker (2006). APEX2 and SAINT. Bruker AXS Inc., Madison, WI, USA.
Devillanova, F., Aragoni, C., Arca, M., Hursthouse, M. B. & Huth, S. L. (2006). Univ. Southampt. Cryst. Struct. Rep. Arch. pp. 250-255.
Gray, I. P., Slawin, A. M. Z. & Woollins, J. D. (2004a). Dalton Trans. pp. 2477-2486.  [CSD] [CrossRef]
Gray, I. P., Slawin, A. M. Z. & Woollins, J. D. (2004b). Z. Anorg. Allg. Chem. 630, 1851-1857.  [CSD] [CrossRef] [ChemPort]
Sheldrick, G. M. (1997). SADABS, University of Göttingen, Germany.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Van Zyl, W. E. (2010). Comments Inorg. Chem. 31, 13-45.  [ISI] [CrossRef] [ChemPort]
Van Zyl, W. E. & Fackler, J. P. (2000). Phosphorus Sulfur Silicon Relat. Elem. 167, 117-132.  [CrossRef] [ChemPort]


Acta Cryst (2012). E68, m1488-m1489   [ doi:10.1107/S1600536812046624 ]

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