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Volume 68 
Part 5 
Page m588  
May 2012  

Received 3 April 2012
Accepted 4 April 2012
Online 13 April 2012

Key indicators
Single-crystal X-ray study
T = 100 K
Mean [sigma](C-C) = 0.007 Å
Disorder in main residue
R = 0.051
wR = 0.111
Data-to-parameter ratio = 18.9
Details
Open access

trans-Dichloridobis[diphenyl(thiophen-2-yl)phosphane-[kappa]P]palladium(II)

aResearch Centre for Synthesis and Catalysis, Department of Chemistry, University of Johannesburg, PO Box 524 Auckland Park, Johannesburg 2006, South Africa
Correspondence e-mail: rmeijboom@uj.ac.za

The title compound, trans-[PdCl2(C16H13PS)2], forms a monomeric complex with a trans-square-planar geometry. The Pd-P bond lengths are 2.3387 (11) Å, as the Pd atom lies on an inversion point, while the Pd-Cl bond lengths are 2.2950 (12) Å.

Related literature

For a review on related compounds, see: Spessard & Miessler (1996[Spessard, G. O. & Miessler, G. L. (1996). Organometallic Chemistry, pp. 131-135. New Jersey: Prentice Hall.]). For the synthesis of the starting materials, see: Drew & Doyle (1990[Drew, D. & Doyle, J. R. (1990). Inorg. Synth. 28, 346-349.]). For (R3P)2PdCl2 compounds with consanguinities, see: Muller & Meijboom (2010[Muller, A. & Meijboom, R. (2010). Acta Cryst. E66, m1463.]); Meijboom (2011[Meijboom, R. (2011). Acta Cryst. E67, m1663.]); Burgoyne et al. (2012[Burgoyne, A. R., Meijboom, R. & Ogutu, H. (2012). Acta Cryst. E68, m404.]); Ogutu & Meijboom, (2011[Ogutu, H. & Meijboom, R. (2011). Acta Cryst. E67, m1662.]). For their applications, see: Bedford et al. (2004[Bedford, R. B., Cazin, C. S. J. & Holder, D. (2004). Coord. Chem. Rev. 248, 2283-2321.]).

[Scheme 1]

Experimental

Crystal data
  • [PdCl2(C16H13PS)2]

  • Mr = 713.91

  • Monoclinic, P 21 /n

  • a = 9.019 (2) Å

  • b = 18.427 (4) Å

  • c = 9.658 (2) Å

  • [beta] = 110.14 (4)°

  • V = 1507.0 (7) Å3

  • Z = 2

  • Mo K[alpha] radiation

  • [mu] = 1.06 mm-1

  • T = 100 K

  • 0.20 × 0.20 × 0.16 mm

Data collection
  • Bruker X8 APEXII 4K KappaCCD diffractometer

  • Absorption correction: multi-scan (SADABS; Bruker, 2007[Bruker (2007). APEX2, SAINT-Plus, XPREP and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]) Tmin = 0.812, Tmax = 0.841

  • 20792 measured reflections

  • 3747 independent reflections

  • 3591 reflections with I > 2[sigma](I)

  • Rint = 0.019

Refinement
  • R[F2 > 2[sigma](F2)] = 0.051

  • wR(F2) = 0.111

  • S = 1.19

  • 3747 reflections

  • 198 parameters

  • 40 restraints

  • H-atom parameters constrained

  • [Delta][rho]max = 1.54 e Å-3

  • [Delta][rho]min = -1.49 e Å-3

Data collection: APEX2 (Bruker, 2007[Bruker (2007). APEX2, SAINT-Plus, XPREP and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT-Plus (Bruker, 2007[Bruker (2007). APEX2, SAINT-Plus, XPREP and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]); data reduction: SAINT-Plus and XPREP (Bruker, 2007[Bruker (2007). 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: DIAMOND (Brandenburg & Putz, 2005[Brandenburg, K. & Putz, H. (2005). DIAMOND. Crystal Impact GbR, Bonn, Germany.]); software used to prepare material for publication: WinGX (Farrugia, 1999[Farrugia, L. J. (1999). J. Appl. Cryst. 32, 837-838.]).


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: HB6729 ).


Acknowledgements

ARB thanks the University of Johannesburg and the South African National Research Foundation for financial support.

References

Bedford, R. B., Cazin, C. S. J. & Holder, D. (2004). Coord. Chem. Rev. 248, 2283-2321.  [ISI] [CrossRef] [ChemPort]
Brandenburg, K. & Putz, H. (2005). DIAMOND. Crystal Impact GbR, Bonn, Germany.
Bruker (2007). APEX2, SAINT-Plus, XPREP and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.
Burgoyne, A. R., Meijboom, R. & Ogutu, H. (2012). Acta Cryst. E68, m404.  [CrossRef] [details]
Drew, D. & Doyle, J. R. (1990). Inorg. Synth. 28, 346-349.  [CrossRef] [ChemPort]
Farrugia, L. J. (1999). J. Appl. Cryst. 32, 837-838.  [CrossRef] [ChemPort] [details]
Meijboom, R. (2011). Acta Cryst. E67, m1663.  [CSD] [CrossRef] [details]
Muller, A. & Meijboom, R. (2010). Acta Cryst. E66, m1463.  [CSD] [CrossRef] [details]
Ogutu, H. & Meijboom, R. (2011). Acta Cryst. E67, m1662.  [CSD] [CrossRef] [details]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Spessard, G. O. & Miessler, G. L. (1996). Organometallic Chemistry, pp. 131-135. New Jersey: Prentice Hall.


Acta Cryst (2012). E68, m588  [ doi:10.1107/S160053681201478X ]

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