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Volume 68 
Part 11 
Page m1374  
November 2012  

Received 14 September 2012
Accepted 27 September 2012
Online 20 October 2012

Key indicators
Single-crystal X-ray study
T = 100 K
Mean [sigma](C-C) = 0.005 Å
H completeness 47%
Disorder in solvent or counterion
R = 0.028
wR = 0.059
Data-to-parameter ratio = 16.3
Details
Open access

[mu]-(2,2'-Bipyrimidine)-bis[dichloridopalladium(II)] dimethylformamide monosolvate

aDepartment of Chemistry, University of the Free State, PO Box 339, Bloemfontein, 9300, South Africa
Correspondence e-mail: technetium3006@hotmail.com

In the title compound, [Pd2Cl4(C8H6N4)]·C3H7NO, the two Pd2+ cations have a distorted square-planar coordination sphere and are bridged by a bis-bidentate 2,2'-bipyrimidine ligand. Two terminal chloride anions are also bonded to each of the Pd2+ cations. The dinuclear complex and the dimethylformamide solvate molecule lie on the intersection of a twofold rotation axis and a mirror plane, with disorder present in the solvate molecule. There is a slight distortion from the square-planar metal geometry, as indicated by the bite angles of 81.77 (13)° and 91.63 (5)°. The C and O atoms of the solvent molecule are disordered over two sets of sites of equal occupancy.

Related literature

The title compound is structurally related to the mono-coordinated species reported by Hudgens et al. (1997[Hudgens, T., Johnson, D., Cordes, W., Barclay, T. & Jeter, D. (1997). J. Chem. Crystallogr. 27, 247-250.]). For background literature on homogenous catalyst models, see: Van Leeuwen (2004[Van Leeuwen, P. (2004). Homogenous Catalysis. Dordrecht: Kluwer Academic Publishers.]); Meij et al. (2005[Meij, A. M. M., Otto, S. & Roodt, A. (2005). Inorg. Chim. Acta, 358, 1005-1011.]); Otto et al. (2003[Otto, S., Roodt, A. & Elding, L. I. (2003). Dalton Trans. pp. 2519-2525.]); Steyn et al. (1997[Steyn, G. J. J., Roodt, A. & Poletaeva, I. (1997). J. Organomet. Chem. 536, 197-205.]). For related structures, see: Inagaki et al. (2007[Inagaki, A., Yatsuda, S., Edure, S., Suzuki, A., Takahashi, T. & Akita, M. (2007). Inorg. Chem. 7, 2432-45.]); Maekawa et al. (1994[Maekawa, M., Munkata, M., Kuroda-Sowa, T. & Motokawa, M. (1994). Anal. Sci. 10, 977-978.]). The mono-coordinated platinum counterpart was reported by Kawakami et al. (2006[Kawakami, D., Yamashita, M., Matsunaga, S., Takaishi, S., Kajiwara, T., Miyasaka, H., Sugiura, K., Matsuzaki, H., Okamoto, H., Wakabayashi, Y. & Sawa, H. (2006). Angew. Chem. Int. Ed. 45, 7214-7217.]). For the synthetic procedure, see: Boyle et al. (2004[Boyle, R. C., Mague, J. T. & Fink, M. J. (2004). Acta Cryst. E60, m40-m41.]).

[Scheme 1]

Experimental

Crystal data
  • [Pd2Cl4(C8H6N4)]·C3H7NO

  • Mr = 578.81

  • Monoclinic, C 2/m

  • a = 10.7299 (6) Å

  • b = 14.2399 (7) Å

  • c = 5.9381 (3) Å

  • [beta] = 108.229 (2)°

  • V = 861.76 (8) Å3

  • Z = 2

  • Mo K[alpha] radiation

  • [mu] = 2.71 mm-1

  • T = 100 K

  • 0.09 × 0.09 × 0.08 mm

Data collection
  • Bruker APEXII diffractometer

  • Absorption correction: multi-scan (SADABS; Bruker, 2008)[Bruker (2008). APEX2, SAINT-Plus and SADABS. Bruker AXS Inc, Madison, Wisconsin, USA.] Tmin = 0.785, Tmax = 0.814

  • 6102 measured reflections

  • 1108 independent reflections

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

  • Rint = 0.041

Refinement
  • R[F2 > 2[sigma](F2)] = 0.028

  • wR(F2) = 0.059

  • S = 1.11

  • 1108 reflections

  • 68 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 0.75 e Å-3

  • [Delta][rho]min = -0.79 e Å-3

Data collection: APEX2 (Bruker, 2008)[Bruker (2008). APEX2, SAINT-Plus and SADABS. Bruker AXS Inc, Madison, Wisconsin, USA.]; cell refinement: SAINT-Plus (Bruker, 2008[Bruker (2008). APEX2, SAINT-Plus and SADABS. Bruker AXS Inc, Madison, Wisconsin, USA.]); data reduction: SAINT-Plus; 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: GG2102 ).


Acknowledgements

Financial assistance from the University of the Free State, NRF(THRIP) and Sasol is gratefully acknowledged, while Theunis Muller is thanked for the data collection.

References

Boyle, R. C., Mague, J. T. & Fink, M. J. (2004). Acta Cryst. E60, m40-m41.  [CSD] [CrossRef] [details]
Brandenburg, K. & Putz, H. (2005). DIAMOND. Crystal Impact GbR, Bonn, Germany.
Bruker (2008). APEX2, SAINT-Plus and SADABS. Bruker AXS Inc, Madison, Wisconsin, USA.
Farrugia, L. J. (1999). J. Appl. Cryst. 32, 837-838.  [CrossRef] [ChemPort] [details]
Hudgens, T., Johnson, D., Cordes, W., Barclay, T. & Jeter, D. (1997). J. Chem. Crystallogr. 27, 247-250.  [CrossRef] [ChemPort] [ISI]
Inagaki, A., Yatsuda, S., Edure, S., Suzuki, A., Takahashi, T. & Akita, M. (2007). Inorg. Chem. 7, 2432-45.  [ISI] [CSD] [CrossRef]
Kawakami, D., Yamashita, M., Matsunaga, S., Takaishi, S., Kajiwara, T., Miyasaka, H., Sugiura, K., Matsuzaki, H., Okamoto, H., Wakabayashi, Y. & Sawa, H. (2006). Angew. Chem. Int. Ed. 45, 7214-7217.  [ISI] [CSD] [CrossRef] [ChemPort]
Maekawa, M., Munkata, M., Kuroda-Sowa, T. & Motokawa, M. (1994). Anal. Sci. 10, 977-978.  [CrossRef] [ChemPort]
Meij, A. M. M., Otto, S. & Roodt, A. (2005). Inorg. Chim. Acta, 358, 1005-1011.  [ISI] [CSD] [CrossRef] [ChemPort]
Otto, S., Roodt, A. & Elding, L. I. (2003). Dalton Trans. pp. 2519-2525.  [CSD] [CrossRef]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Steyn, G. J. J., Roodt, A. & Poletaeva, I. (1997). J. Organomet. Chem. 536, 197-205.  [CrossRef]
Van Leeuwen, P. (2004). Homogenous Catalysis. Dordrecht: Kluwer Academic Publishers.


Acta Cryst (2012). E68, m1374  [ doi:10.1107/S1600536812040779 ]

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