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

Vuba, B.; Muller, A.

doi:10.1107/S1600536811051841

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 (C-C) = 0.008 Å
Disorder in main residue
R = 0.026
wR = 0.067
Data-to-parameter ratio = 13.6
Details

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

Bubele Vuba ^a and Alfred Muller ^a ^*

^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); Muller et al. (2006, 2008). Examples of the packing disorder observed in Vaska-type complexes of Rh, Ir, Pd and Pt are given by Chen et al. (1991), Kuwabara & Bau (1994), Otto et al. (2000) and Otto (2001), respectively. For examples of Pt complexes with phosphorus ligands in a trans orientation, see: Otto & Roodt (1997); Johansson et al. (2000) and for examples of Pt complexes with phosphorus ligands in a cis orientation, see: Otto & Muller (2001), Otto & Johansson (2001). For the analogous Rh complex containing a dicyclohexyl(4- isopropylphenyl)phosphane ligand, see: Makhoba et al. (2011). For a description of the Cambridge Structural Database, see: (Allen, 2002). For background to cone angles, see: Tolman (1977). The twinned crystal was indexing using the CELL_NOW program (Bruker, 2008).

Experimental

Crystal data

[PtCl₂(C₂₁H₃₃P)₂]·C₃H₆O
M_r = 956.96
Triclinic, $[P \overline 1]$
a = 10.407 (2) Å
b = 15.075 (3) Å
c = 15.766 (3) Å
= 88.81 (3)°
= 88.33 (3)°
= 74.17 (3)°
V = 2378.5 (8) Å³
Z = 2
Cu K radiation
= 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) T_min = 0.446, T_max = 0.446
7557 measured reflections
7557 independent reflections
7055 reflections with I > 2(I)

Refinement

R[F² > 2(F²)] = 0.026
wR(F²) = 0.067
S = 1.11
7557 reflections
557 parameters
218 restraints
H-atom parameters constrained
_max = 0.72 e Å^-3
_min = -0.75 e Å^-3

Data collection: APEX2 (Bruker, 2011); cell refinement: SAINT (Bruker, 2008); data reduction: SAINT and XPREP (Bruker, 2008); program(s) used to solve structure: SIR97 (Altomare et al., 1999); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: DIAMOND (Brandenburg & Putz, 2005); software used to prepare material for publication: WinGX (Farrugia, 1999).

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

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