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Volume 69 
Part 2 
Page m86  
February 2013  

Received 22 November 2012
Accepted 18 December 2012
Online 9 January 2013

Key indicators
Single-crystal X-ray study
T = 100 K
Mean [sigma](C-C) = 0.005 Å
R = 0.039
wR = 0.094
Data-to-parameter ratio = 22.9
Details
Open access

Di-[mu]-chlorido-bis{[2-(di-tert-butylphosphanyl)biphenyl-3-yl-[kappa]2C3,P]palladium(II)} dichloromethane disolvate

aResearch Centre for Synthesis and Catalysis, Department of Chemistry, University of Johannesburg, Auckland Park Kingsway Campus, PO Box 524, Auckland Park 2006, South Africa, and bSchool of Chemistry and Physics, University of KwaZulu-Natal, Westville Campus, Private Bag X54001, Durban 4000, South Africa
Correspondence e-mail: owaga@ukzn.ac.za

The asymmetric unit of the title compound, [Pd2Cl2(C20H26P)2]·2CH2Cl2, contains one half-molecule of the palladium complex and a dichloromethane solvent molecule. In the complex, two PdII atoms are bridged by two Cl atoms, with the other two coordination sites occupied by a C atom of the biphenyl system and a P atom, resulting in a distorted square-planar coordination geometry of the PdII atom and a cyclometallated four-membered ring. The Pd2Cl2 unit is located about an inversion center. The planes of the rings of the biphenyl system make a dihedral angle of 66.36 (11)°.

Related literature

For background to palladacycles, see: Beletskaya & Cheprakov (2004[Beletskaya, I. P. & Cheprakov, A. V. (2004). J. Organomet. Chem. 689, 4055-4082.]); Orlye & Jutland (2005[Orlye, F. d' & Jutland, A. (2005). Tetrahedron, 61, 9670-9678.]); Herrmann et al. (2003[Herrmann, W. A., Öfele, K., Von Preysing, D. & Schneider, S. K. (2003). J. Organomet. Chem. 687, 229-248.]). For their applications as catalysts for methoxycarbonylation, see: Omondi et al. (2011[Omondi, B., Shaw, M. L. & Holzapfel, C. W. (2011). J. Organomet. Chem. 696, 3091-3096.]); Williams et al. (2008[Williams, D. G. B., Shaw, M. L., Green, M. J. & Holzapfel, C. W. (2008). Angew. Chem. Int. Ed. 47, 560-563.]). For related structures with PdII in ortho-position, see: Sole et al. (2004[Sole, D., Vallverdu', L., Solans, X., Font-Bardia, M. & Bonjoch, J. (2004). Organometallics, 23, 1438-1447.]); Mohr et al. (2006[Mohr, F., Priver, S. H., Bhargava, S. K. & Bennett, M. A. (2006). Coord. Chem. Rev. 250, 1851-1888.]); Bennett et al. (2010[Bennett, M. A., Bhargava, S. K., Bond, A. M., Burgar, I. M., Guo, S.-X., Kar, G., Priv'er, S. H., Wagler, J., Willis, A. C. & Torriero, A. A. J. (2010). Dalton Trans. 39, 9079-9090.]); Christmann et al. (2006[Christmann, U., Pantazis, D. A., Benet-Buchholz, J., McGrady, J. E., Maseras, F. & Vilar, R. (2006). J. Am. Chem. Soc. 128, 6376-6390.]); Garrou et al. (1981[Garrou, P. E. (1981). Chem. Rev. 81, 229-266.]).

[Scheme 1]

Experimental

Crystal data
  • [Pd2Cl2(C20H26P)2]·2CH2Cl2

  • Mr = 1048.31

  • Triclinic, [P \overline 1]

  • a = 9.4741 (15) Å

  • b = 10.1805 (15) Å

  • c = 12.0677 (18) Å

  • [alpha] = 103.250 (4)°

  • [beta] = 95.443 (3)°

  • [gamma] = 97.080 (3)°

  • V = 1115.2 (3) Å3

  • Z = 1

  • Mo K[alpha] radiation

  • [mu] = 1.27 mm-1

  • T = 100 K

  • 0.08 × 0.07 × 0.02 mm

Data collection
  • Bruker X8 APEXII 4K KappaCCD diffractometer

  • Absorption correction: multi-scan (SADABS; Bruker, 2008[Bruker (2008). APEX2, SAINT-Plus, SADABS and XPREP. Bruker AXS Inc, Madison, Wisconsin, USA.]) Tmin = 0.905, Tmax = 0.975

  • 15104 measured reflections

  • 5515 independent reflections

  • 4344 reflections with I > 2[sigma](I)

  • Rint = 0.049

Refinement
  • R[F2 > 2[sigma](F2)] = 0.039

  • wR(F2) = 0.094

  • S = 1.01

  • 5515 reflections

  • 241 parameters

  • 1 restraint

  • H-atom parameters constrained

  • [Delta][rho]max = 1.16 e Å-3

  • [Delta][rho]min = -1.09 e Å-3

Data collection: APEX2 (Bruker, 2008[Bruker (2008). APEX2, SAINT-Plus, SADABS and XPREP. Bruker AXS Inc, Madison, Wisconsin, USA.]); cell refinement: SAINT-Plus (Bruker, 2008[Bruker (2008). APEX2, SAINT-Plus, SADABS and XPREP. Bruker AXS Inc, Madison, Wisconsin, USA.]); data reduction: SAINT-Plus and XPREP (Bruker, 2008[Bruker (2008). APEX2, SAINT-Plus, SADABS and XPREP. 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: ORTEP-3 (Farrugia, 2012[Farrugia, L. J. (2012). J. Appl. Cryst. 45, 849-854.]); software used to prepare material for publication: WinGX (Farrugia, 2012[Farrugia, L. J. (2012). J. Appl. Cryst. 45, 849-854.]).


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: KJ2217 ).


Acknowledgements

We would like to acknowledge the University of Johannesburg for financial assistance.

References

Beletskaya, I. P. & Cheprakov, A. V. (2004). J. Organomet. Chem. 689, 4055-4082.  [CrossRef] [ChemPort]
Bennett, M. A., Bhargava, S. K., Bond, A. M., Burgar, I. M., Guo, S.-X., Kar, G., Priv'er, S. H., Wagler, J., Willis, A. C. & Torriero, A. A. J. (2010). Dalton Trans. 39, 9079-9090.  [CSD] [CrossRef] [ChemPort] [PubMed]
Bruker (2008). APEX2, SAINT-Plus, SADABS and XPREP. Bruker AXS Inc, Madison, Wisconsin, USA.
Christmann, U., Pantazis, D. A., Benet-Buchholz, J., McGrady, J. E., Maseras, F. & Vilar, R. (2006). J. Am. Chem. Soc. 128, 6376-6390.  [ISI] [CSD] [CrossRef] [PubMed] [ChemPort]
Farrugia, L. J. (2012). J. Appl. Cryst. 45, 849-854.  [ISI] [CrossRef] [ChemPort] [details]
Garrou, P. E. (1981). Chem. Rev. 81, 229-266.  [CrossRef] [ChemPort] [ISI]
Herrmann, W. A., Öfele, K., Von Preysing, D. & Schneider, S. K. (2003). J. Organomet. Chem. 687, 229-248.  [CrossRef] [ChemPort]
Mohr, F., Priver, S. H., Bhargava, S. K. & Bennett, M. A. (2006). Coord. Chem. Rev. 250, 1851-1888.  [ISI] [CrossRef] [ChemPort]
Omondi, B., Shaw, M. L. & Holzapfel, C. W. (2011). J. Organomet. Chem. 696, 3091-3096.  [CSD] [CrossRef] [ChemPort]
Orlye, F. d' & Jutland, A. (2005). Tetrahedron, 61, 9670-9678.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Sole, D., Vallverdu', L., Solans, X., Font-Bardia, M. & Bonjoch, J. (2004). Organometallics, 23, 1438-1447.  [ChemPort]
Williams, D. G. B., Shaw, M. L., Green, M. J. & Holzapfel, C. W. (2008). Angew. Chem. Int. Ed. 47, 560-563.  [ISI] [CrossRef] [ChemPort]


Acta Cryst (2013). E69, m86  [ doi:10.1107/S1600536812051136 ]

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