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Volume 68 
Part 1 
Pages m14-m15  
January 2012  

Received 28 November 2011
Accepted 1 December 2011
Online 7 December 2011

Key indicators
Single-crystal X-ray study
T = 293 K
Mean [sigma](C-C) = 0.008 Å
Disorder in main residue
R = 0.026
wR = 0.067
Data-to-parameter ratio = 13.6
Details
Open access

trans-Dichloridobis[dicyclohexyl(4-isopropylphenyl)phosphane-[kappa]P]platinum(II) acetone monosolvate

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

The title compound, [PtCl2(C21H33P)2]·C3H6O, crystallizes with an accompanying acetone solvent molecule. The metal atom shows a distorted square-planar coordination environment, with a P-Pt-P angle of 172.41 (3)° as the most prominent feature. Both isopropyl fragments were treated as disordered over two conformations with occupancy ratios of 0.55 (2):0.45 (2) and 0.58 (2):0.42 (2). The solvent molecule was also disordered over two orientations in a 1:1 ratio. The crystal studied was a non-merohedral twin with a twin component of 32.4%.

Related literature

For background to our investigation of the steric and electronic effects of group 15 ligands, see Roodt et al. (2003[Roodt, A., Otto, S. & Steyl, G. J. (2003). Coord. Chem. Rev. 245, 121-137.]); Muller et al. (2006[Muller, A., Meijboom, R. & Roodt, A. (2006). J. Organomet. Chem. 691, 5794-5801.], 2008[Muller, A., Otto, S. & Roodt, A. (2008). Dalton Trans. pp. 650-657.]). Examples of the packing disorder observed in Vaska-type complexes of Rh, Ir, Pd and Pt are given by Chen et al. (1991[Chen, Y.-J., Wang, J.-C. & Wang, Yu (1991). Acta Cryst. C47, 2441-2442.]), Kuwabara & Bau (1994[Kuwabara, E. & Bau, R. (1994). Acta Cryst. C50, 1409-1411.]), Otto et al. (2000[Otto, S., Roodt, A. & Smith, J. (2000). Inorg. Chim. Acta, 303, 295-299.]) and Otto (2001[Otto, S. (2001). Acta Cryst. C57, 793-795.]), respectively. For examples of Pt complexes with phosphorus ligands in a trans orientation, see: Otto & Roodt (1997[Otto, S. & Roodt, A. (1997). Acta Cryst. C53, 280-282.]); Johansson et al. (2000[Johansson, M. H., Otto, S., Roodt, A. & Oskarsson, Å. (2000). Acta Cryst. B56, 226-233.]) and for examples of Pt complexes with phosphorus ligands in a cis orientation, see: Otto & Muller (2001[Otto, S. & Muller, A. J. (2001). Acta Cryst. C57, 1405-1407.]), Otto & Johansson (2001[Otto, S. & Johansson, M. H. (2001). Inorg. Chim. Acta, 329, 135-140.]). For the analogous Rh complex containing a dicyclohexyl(4- isopropylphenyl)phosphane ligand, see: Makhoba et al. (2011[Makhoba, S., Muller, A., Meijboom, R. & Omondi, B. (2011). Acta Cryst. E67, m1286-m1287.]). For a description of the Cambridge Structural Database, see: (Allen, 2002[Allen, F. H. (2002). Acta Cryst. B58, 380-388.]). For background to cone angles, see: Tolman (1977[Tolman, C. A. (1977). Chem. Rev. 77, 313-348.]). The twinned crystal was indexing using the CELL_NOW program (Bruker, 2008[Bruker (2008). TWINABS, CELL_NOW, SAINT and XPREP. Bruker AXS Inc., Madison, Wisconsin, USA.]).

[Scheme 1]

Experimental

Crystal data
  • [PtCl2(C21H33P)2]·C3H6O

  • Mr = 956.96

  • Triclinic, [P \overline 1]

  • a = 10.407 (2) Å

  • b = 15.075 (3) Å

  • c = 15.766 (3) Å

  • [alpha] = 88.81 (3)°

  • [beta] = 88.33 (3)°

  • [gamma] = 74.17 (3)°

  • V = 2378.5 (8) Å3

  • Z = 2

  • Cu K[alpha] radiation

  • [mu] = 7.40 mm-1

  • T = 293 K

  • 0.13 × 0.13 × 0.13 mm

Data collection
  • Bruker APEX DUO 4K CCD diffractometer

  • Absorption correction: multi-scan (TWINABS; Bruker, 2008[Bruker (2008). TWINABS, CELL_NOW, SAINT and XPREP. Bruker AXS Inc., Madison, Wisconsin, USA.]) Tmin = 0.446, Tmax = 0.446

  • 7557 measured reflections

  • 7557 independent reflections

  • 7055 reflections with I > 2[sigma](I)

Refinement
  • R[F2 > 2[sigma](F2)] = 0.026

  • wR(F2) = 0.067

  • S = 1.11

  • 7557 reflections

  • 557 parameters

  • 218 restraints

  • H-atom parameters constrained

  • [Delta][rho]max = 0.72 e Å-3

  • [Delta][rho]min = -0.75 e Å-3

Data collection: APEX2 (Bruker, 2011[Bruker (2011). APEX2. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 2008[Bruker (2008). TWINABS, CELL_NOW, SAINT and XPREP. Bruker AXS Inc., Madison, Wisconsin, USA.]); data reduction: SAINT and XPREP (Bruker, 2008[Bruker (2008). TWINABS, CELL_NOW, SAINT and XPREP. Bruker AXS Inc., Madison, Wisconsin, USA.]); program(s) used to solve structure: SIR97 (Altomare et al., 1999[Altomare, A., Burla, M. C., Camalli, M., Cascarano, G. L., Giacovazzo, C., Guagliardi, A., Moliterni, A. G. G., Polidori, G. & Spagna, R. (1999). J. Appl. Cryst. 32, 115-119.]); 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: CV5210 ).


Acknowledgements

Research funds of the University of Johannesburg is gratefully acknowledged.

References

Allen, F. H. (2002). Acta Cryst. B58, 380-388.  [ISI] [CrossRef] [details]
Altomare, A., Burla, M. C., Camalli, M., Cascarano, G. L., Giacovazzo, C., Guagliardi, A., Moliterni, A. G. G., Polidori, G. & Spagna, R. (1999). J. Appl. Cryst. 32, 115-119.  [ISI] [CrossRef] [ChemPort] [details]
Brandenburg, K. & Putz, H. (2005). DIAMOND. Crystal Impact GbR, Bonn, Germany.
Bruker (2008). TWINABS, CELL_NOW, SAINT and XPREP. Bruker AXS Inc., Madison, Wisconsin, USA.
Bruker (2011). APEX2. Bruker AXS Inc., Madison, Wisconsin, USA.
Chen, Y.-J., Wang, J.-C. & Wang, Yu (1991). Acta Cryst. C47, 2441-2442.  [CrossRef] [details]
Farrugia, L. J. (1999). J. Appl. Cryst. 32, 837-838.  [CrossRef] [ChemPort] [details]
Johansson, M. H., Otto, S., Roodt, A. & Oskarsson, Å. (2000). Acta Cryst. B56, 226-233.  [ISI] [CSD] [CrossRef] [details]
Kuwabara, E. & Bau, R. (1994). Acta Cryst. C50, 1409-1411.  [CrossRef] [details]
Makhoba, S., Muller, A., Meijboom, R. & Omondi, B. (2011). Acta Cryst. E67, m1286-m1287.  [CSD] [CrossRef] [details]
Muller, A., Meijboom, R. & Roodt, A. (2006). J. Organomet. Chem. 691, 5794-5801.  [CSD] [CrossRef] [ChemPort]
Muller, A., Otto, S. & Roodt, A. (2008). Dalton Trans. pp. 650-657.  [CSD] [CrossRef] [PubMed]
Otto, S. (2001). Acta Cryst. C57, 793-795.  [CSD] [CrossRef] [ChemPort] [details]
Otto, S. & Johansson, M. H. (2001). Inorg. Chim. Acta, 329, 135-140.
Otto, S. & Muller, A. J. (2001). Acta Cryst. C57, 1405-1407.  [CSD] [CrossRef] [ChemPort] [details]
Otto, S. & Roodt, A. (1997). Acta Cryst. C53, 280-282.  [CrossRef] [details]
Otto, S., Roodt, A. & Smith, J. (2000). Inorg. Chim. Acta, 303, 295-299.  [ISI] [CSD] [CrossRef] [ChemPort]
Roodt, A., Otto, S. & Steyl, G. J. (2003). Coord. Chem. Rev. 245, 121-137.  [ISI] [CSD] [CrossRef] [ChemPort]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Tolman, C. A. (1977). Chem. Rev. 77, 313-348.  [CrossRef] [ChemPort] [ISI]


Acta Cryst (2012). E68, m14-m15   [ doi:10.1107/S1600536811051841 ]

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