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Volume 68 
Part 12 
Page m1457  
December 2012  

Received 19 October 2012
Accepted 31 October 2012
Online 3 November 2012

Key indicators
Single-crystal X-ray study
T = 173 K
Mean [sigma](C-C) = 0.003 Å
R = 0.030
wR = 0.065
Data-to-parameter ratio = 19.9
Details
Open access

Bis[O-propan-2-yl (4-ethoxyphenyl)dithiophosphonato-[kappa]2S,S']nickel(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, [Ni(C11H16O2PS2)2], is a neutral four-coordinate mononuclear complex with a square-planar geometry. The complex lies on an inversion center. The metal atom is surrounded by two chelating isobidentate O-propan-2-yl (4-ethoxyphenyl)dithiophosphonate ligands in a trans configuration binding through the S-donor atoms. The Ni-S bond lengths are 2.2328 (5) and 2.2369 (5) Å, an insignificant difference to be considered anisobidentate. The Ni...P separation is 2.8224 (5) Å and the S-P bond lengths are 2.0035 (7) and 2.0053 (7) Å. The S-Ni-S (chelating) and S-Ni-S (trans) bond angles are 88.321 (18) and 180°. The Ni-S-P bond angles are 83.26 (2) and 83.33 (2)°, indicating a very minor distortion from ideal square-planar geometry for the Ni atom. The P atom, however, is distorted quite significantly from an ideal tetrahedral geometry, as reflected by the S-P-S and O-P-C bond angles of 101.93 (3) and 100.70 (7)°, respectively.

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 nickel(II) dithiophosphonate complexes, see: Liu et al. (2004[Liu, H.-L., Mao, H.-Y., Xu, C., Zhang, H.-Y., Hou, H.-W., Wu, Q., Zhu, Y., Ye, B.-X. & Yuan, L.-J. (2004). Polyhedron, 23, 1799-1804.]); Gray et al. (2004[Gray, I. P., Slawin, A. M. Z. & Woollins, J. D. (2004). Dalton Trans. pp. 2477-2486.]); Aragoni et al. (2007[Aragoni, M. C., Arca, M., Devillanova, F. A., Hursthouse, M. B., Huth, S. L., Isaia, F., Lippolis, V., Mancini, A., Soddu, S. & Verani, G. (2007). Dalton Trans. pp. 2127-2134.]); Arca et al. (1997[Arca, M., Cornia, A., Devillanova, F. A., Fabretti, A. C., Isaia, F., Lippolis, V. & Verani, G. (1997). Inorg. Chim. Acta, 262, 81-84.]); Malatesta & Pizzotti (1945[Malatesta, L. & Pizzotti, R. (1945). Chim. Ind. (Milan), 27, 6-9.]); Hartung (1967[Hartung, H. (1967). Z. Chem. 7, 241.]).

[Scheme 1]

Experimental

Crystal data
  • [Ni(C11H16O2PS2)2]

  • Mr = 609.37

  • Triclinic, [P \overline 1]

  • a = 7.8893 (6) Å

  • b = 8.4178 (7) Å

  • c = 11.4825 (10) Å

  • [alpha] = 109.530 (4)°

  • [beta] = 101.959 (4)°

  • [gamma] = 93.913 (5)°

  • V = 695.22 (10) Å3

  • Z = 1

  • Mo K[alpha] radiation

  • [mu] = 1.14 mm-1

  • T = 173 K

  • 0.39 × 0.26 × 0.14 mm

Data collection
  • Nonius KappaCCD diffractometer

  • Absorption correction: multi-scan (SADABS; Sheldrick, 1996[Sheldrick, G. M. (1996). SADABS. University of Göttingen, Germany.]) Tmin = 0.665, Tmax = 0.857

  • 14410 measured reflections

  • 3062 independent reflections

  • 2381 reflections with I > 2[sigma](I)

  • Rint = 0.035

Refinement
  • R[F2 > 2[sigma](F2)] = 0.030

  • wR(F2) = 0.065

  • S = 1.02

  • 3062 reflections

  • 154 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 0.27 e Å-3

  • [Delta][rho]min = -0.31 e Å-3

Data collection: COLLECT (Nonius, 2000[Nonius (2000). COLLECT. Nonius BV, Delft, The Netherlands.]); cell refinement: DENZO-SMN (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-SMN; 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: BH2460 ).


Acknowledgements

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

References

Aragoni, M. C., Arca, M., Devillanova, F. A., Hursthouse, M. B., Huth, S. L., Isaia, F., Lippolis, V., Mancini, A., Soddu, S. & Verani, G. (2007). Dalton Trans. pp. 2127-2134.  [CSD] [CrossRef]
Arca, M., Cornia, A., Devillanova, F. A., Fabretti, A. C., Isaia, F., Lippolis, V. & Verani, G. (1997). Inorg. Chim. Acta, 262, 81-84.  [CrossRef] [ChemPort] [ISI]
Gray, I. P., Slawin, A. M. Z. & Woollins, J. D. (2004). Dalton Trans. pp. 2477-2486.  [CSD] [CrossRef]
Hartung, H. (1967). Z. Chem. 7, 241.  [CrossRef]
Liu, H.-L., Mao, H.-Y., Xu, C., Zhang, H.-Y., Hou, H.-W., Wu, Q., Zhu, Y., Ye, B.-X. & Yuan, L.-J. (2004). Polyhedron, 23, 1799-1804.  [ISI] [CSD] [CrossRef] [ChemPort]
Malatesta, L. & Pizzotti, R. (1945). Chim. Ind. (Milan), 27, 6-9.  [ChemPort]
Nonius (2000). 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. (1996). 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, m1457  [ doi:10.1107/S1600536812045114 ]

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