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Volume 69 
Part 8 
Page m472  
August 2013  

Received 18 June 2013
Accepted 17 July 2013
Online 24 July 2013

Key indicators
Single-crystal X-ray study
T = 298 K
Mean [sigma](C-C) = 0.009 Å
Disorder in solvent or counterion
R = 0.039
wR = 0.088
Data-to-parameter ratio = 15.3
Details
Open access

trans-Bis([mu]-benzenethiolato-[kappa]2S:S)bis[chlorido(triphenylphosphane-[kappa]P)palladium(II)] chloroform disolvate

aDepartamento de Química Orgánica, IPN, Escuela Nacional de Ciencias Biológicas, Caprio y Plan de Ayala S/N, Colonia Santo Tomás, 11340 México, DF, Mexico,bCiencias Básicas e Ingeniería, Recursos de la Tierra, Universidad Autónoma Metropolitana, Avenida Hidalgo Poniente, La Estación Lerma, Lerma de Villada, 52006 Estado de México, CP, Mexico, and cInstituto de Química, Universidad Nacional Autónoma de México, Circuito Exterior, Ciudad Universitaria, DF 04510, Mexico
Correspondence e-mail: alcivesorrosa@gmail.com

The title compound, [Pd2Cl2(C6H5S)2(C18H15P)2]·2CHCl3, contains a centrosymmetric dinuclear palladium complex with the PdII cation in a slightly distorted square-planar coordination environment. The PdII cations are bridged by the S atoms of two benzenethiolate ligands with different Pd-S distances [2.2970 (11) and 2.3676 (11) Å]. The coordination of the metal atom is completed by a chloride anion [2.3383 (11) Å] and a triphenylphosphane ligand [2.2787 (11) Å]. Weak C-H...Cl interactions are present between complex molecules and the CHCl3 solvent molecule. The latter is disordered over two positions in a 0.792 (8):0.208 (8) ratio. The crystal under investigation was found to be twinned by nonmerohedry, with a fraction of 73.4 (1)% for the major twin component.

Related literature

For related complexes in catalysis reactions, see: Yin & Liebscher (2007[Yin, L. & Liebscher, J. (2007). Chem. Rev. 107, 133-173.]); Frisch & Beller (2005[Frisch, A. C. & Beller, M. (2005). Angew. Chem. Int. Ed. 44, 674-688.]); Knochel & Singer (1993[Knochel, P. & Singer, R. D. (1993). Chem. Rev. 93, 2117-2188.]); Surry & Buchwald (2008[Surry, D. S. & Buchwald, S. L. (2008). Angew. Chem. Int. Ed. 47, 6338-6361.]). For bond lengths in a related complex, see: Estudiante-Negrete et al. (2007[Estudiante-Negrete, F., Redón, R., Hernández-Ortega, S., Toscano, R. A. & Morales-Morales, D. (2007). Inorg. Chim. Acta, 360, 1651-1660.]).

[Scheme 1]

Experimental

Crystal data
  • [Pd2Cl2(C6H5S)2(C18H15P)2]·2CHCl3

  • Mr = 1265.29

  • Monoclinic, P 21 /n

  • a = 10.8343 (11) Å

  • b = 14.2291 (15) Å

  • c = 17.3994 (18) Å

  • [beta] = 102.095 (2)°

  • V = 2622.8 (5) Å3

  • Z = 2

  • Mo K[alpha] radiation

  • [mu] = 1.27 mm-1

  • T = 298 K

  • 0.36 × 0.19 × 0.10 mm

Data collection
  • Bruker SMART APEX CCD area-detector diffractometer

  • Absorption correction: multi-scan (TWINABS; Bruker, 2007[Bruker (2007). APEX2, SAINT and TWINABS. Bruker AXS Inc., Madison, Wisconsin, USA.]) Tmin = 0.707, Tmax = 0.878

  • 4876 measured reflections

  • 4876 independent reflections

  • 4577 reflections with I > 2[sigma](I)

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

  • wR(F2) = 0.088

  • S = 1.08

  • 4876 reflections

  • 318 parameters

  • 96 restraints

  • H-atom parameters constrained

  • [Delta][rho]max = 0.55 e Å-3

  • [Delta][rho]min = -0.31 e Å-3

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
C25-H25...Cl1i 0.98 2.79 3.744 (6) 164
C15-H15...Cl1ii 0.93 2.93 3.650 (5) 135
Symmetry codes: (i) x+1, y, z; (ii) [x+{\script{1\over 2}}, -y+{\script{1\over 2}}, z+{\script{1\over 2}}].

Data collection: APEX2 (Bruker, 2007[Bruker (2007). APEX2, SAINT and TWINABS. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 2007[Bruker (2007). APEX2, SAINT and TWINABS. Bruker AXS Inc., Madison, Wisconsin, USA.]); data reduction: SAINT; program(s) used to solve structure: SHELXL2013 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); program(s) used to refine structure: SHELXL2013; molecular graphics: ORTEP-3 for Windows (Farrugia, 2012[Farrugia, L. J. (2012). J. Appl. Cryst. 45, 849-854.]); software used to prepare material for publication: SHELXL2013 and PLATON (Spek, 2009[Spek, A. L. (2009). Acta Cryst. D65, 148-155.]).


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: WM2753 ).


Acknowledgements

Financial support of this research by CONACYT (grant No. CB2010-154732) and PAPIIT (grant No. IN201711-3) is gratefully acknowledged. RRM and DMM thank Dr Ruben A. Toscano for technical assistance.

References

Bruker (2007). APEX2, SAINT and TWINABS. Bruker AXS Inc., Madison, Wisconsin, USA.
Estudiante-Negrete, F., Redón, R., Hernández-Ortega, S., Toscano, R. A. & Morales-Morales, D. (2007). Inorg. Chim. Acta, 360, 1651-1660.  [Web of Science] [CSD] [CrossRef] [ChemPort]
Farrugia, L. J. (2012). J. Appl. Cryst. 45, 849-854.  [Web of Science] [CrossRef] [ChemPort] [IUCr Journals]
Frisch, A. C. & Beller, M. (2005). Angew. Chem. Int. Ed. 44, 674-688.  [CrossRef] [ChemPort]
Knochel, P. & Singer, R. D. (1993). Chem. Rev. 93, 2117-2188.  [CrossRef] [ChemPort]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [ChemPort] [IUCr Journals]
Spek, A. L. (2009). Acta Cryst. D65, 148-155.  [Web of Science] [CrossRef] [ChemPort] [IUCr Journals]
Surry, D. S. & Buchwald, S. L. (2008). Angew. Chem. Int. Ed. 47, 6338-6361.  [Web of Science] [CrossRef] [ChemPort]
Yin, L. & Liebscher, J. (2007). Chem. Rev. 107, 133-173.  [CrossRef] [PubMed] [ChemPort]


Acta Cryst (2013). E69, m472  [ doi:10.1107/S1600536813019806 ]

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