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Volume 68 
Part 12 
Page m1534  
December 2012  

Received 4 November 2012
Accepted 18 November 2012
Online 24 November 2012

Key indicators
Single-crystal X-ray study
T = 173 K
Mean [sigma](C-C) = 0.002 Å
R = 0.019
wR = 0.053
Data-to-parameter ratio = 22.5
Details
Open access

Bis[O-propyl (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], contains a four-coordinate NiII cation with an idealized square-planar geometry. The metal atom is surrounded by two chelating isobidentate dithiophosphonate ligands in a trans or anti configuration, binding through the S-donor atoms.

Related literature

For information on the first structure of an NiII-dithiophosphonate complex, see: Hartung (1967[Hartung, H. (1967). Z. Chem. 7, 241.]). For general preparative procedures for dithiophosphonates, see: Van Zyl (2010[Van Zyl, W. E. (2010). Comments Inorg. Chem. 31, 13-45.]); Van Zyl & Fackler (2000[Van Zyl, W. E. & Fackler, J. P. (2000). Phosphorus Sulfur Silicon Relat. Elem. 167, 117-132.]). For a comprehensive review on dithiophosphonates, see: Van Zyl & Woollins (2012[Van Zyl, W. E. & Woollins, J. D. (2012). Coord. Chem. Rev. doi:10.1016/j.ccr.2012.10.010.2.]). For reports on the synthesis and structures of different types of NiII-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.]).

[Scheme 1]

Experimental

Crystal data
  • [Ni(C11H16O2PS2)2]

  • Mr = 609.37

  • Monoclinic, P 21 /c

  • a = 9.4227 (2) Å

  • b = 15.6479 (3) Å

  • c = 9.5281 (2) Å

  • [beta] = 102.878 (1)°

  • V = 1369.54 (5) Å3

  • Z = 2

  • Mo K[alpha] radiation

  • [mu] = 1.16 mm-1

  • T = 173 K

  • 0.40 × 0.34 × 0.11 mm

Data collection
  • Bruker APEXII CCD diffractometer

  • Absorption correction: multi-scan (SADABS; Bruker, 2008[Bruker (2008). APEX2, SAINT-Plus, XPREP and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]) Tmin = 0.655, Tmax = 0.883

  • 32798 measured reflections

  • 3446 independent reflections

  • 3335 reflections with I > 2[sigma](I)

  • Rint = 0.020

Refinement
  • R[F2 > 2[sigma](F2)] = 0.019

  • wR(F2) = 0.053

  • S = 1.09

  • 3446 reflections

  • 153 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 0.35 e Å-3

  • [Delta][rho]min = -0.39 e Å-3

Data collection: APEX2 (Bruker, 2008[Bruker (2008). APEX2, SAINT-Plus, XPREP and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT-Plus (Bruker, 2008[Bruker (2008). APEX2, SAINT-Plus, XPREP and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]); data reduction: SAINT-Plus and XPREP (Bruker, 2008[Bruker (2008). APEX2, SAINT-Plus, XPREP and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]); 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: FJ2606 ).


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]
Bruker (2008). APEX2, SAINT-Plus, XPREP and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.
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]
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]
Van Zyl, W. E. & Woollins, J. D. (2012). Coord. Chem. Rev. doi:10.1016/j.ccr.2012.10.010.2.


Acta Cryst (2012). E68, m1534  [ doi:10.1107/S1600536812047368 ]

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