[Journal logo]

Volume 68 
Part 12 
Page m1512  
December 2012  

Received 13 November 2012
Accepted 15 November 2012
Online 24 November 2012

[ng5305sup1]
[3d view]

[Cited in]
[Download citation]
Key indicators
Single-crystal X-ray study
T = 100 K
Mean [sigma](C-C) = 0.003 Å
R = 0.018
wR = 0.039
Data-to-parameter ratio = 21.3
Details
Open access

trans-Bis(benzyldiphenylphosphane-[kappa]P)dichloridoplatinum(II)

Alfred Mullera*

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

In the mononuclear title compound, trans-[PtCl2(C19H17P)2], the slightly distorted square-planar coordination sphere of the PtII atom is occupied by two benzyldiphenylphosphane ligands and two chloride atoms in a mutually trans geometry. The effective cone angles for the two phosphane ligands are 160 and 169°. C-H...Cl interactions generate infinite long chains along [01-1]. Additional C-H...[pi] and [pi]-[pi] stacking interactions [centroid-centroid distance = 4.2499 (15) Å and ring slippage = 2.386 Å] are observed.

Related literature

For reviews of related compounds, see: Spessard & Miessler (1996[Spessard, G. O. & Miessler, G. L. (1996). Organometallic Chemistry, pp. 131-135 Upper Saddle River, New Jersey, USA: Prentice Hall.]); Muller & Meijboom (2010[Muller, A. & Meijboom, R. (2010). Acta Cryst. E66, m1420.]). For background to cone angles, see: Tolman (1977[Tolman, C. A. (1977). Chem. Rev. 77, 313-348.]); Otto (2001[Otto, S. (2001). Acta Cryst. C57, 793-795.]). For the cis isomer of the title compound, see: Davis & Meijboom (2011[Davis, W. L. & Meijboom, R. (2011). Acta Cryst. E67, m1800.]).

[Scheme 1]

Experimental

Crystal data

  • [PtCl2(C19H17P)2]

  • Mr = 818.58

  • Triclinic, [P \overline 1]

  • a = 9.5585 (12) Å

  • b = 13.4135 (17) Å

  • c = 14.7553 (18) Å

  • [alpha] = 66.307 (2)°

  • [beta] = 73.147 (3)°

  • [gamma] = 88.034 (3)°

  • V = 1650.7 (4) Å3

  • Z = 2

  • Mo K[alpha] radiation

  • [mu] = 4.54 mm-1

  • T = 100 K

  • 0.24 × 0.1 × 0.08 mm
Data collection

  • Bruker APEX DUO 4K CCD diffractometer

  • Absorption correction: multi-scan (SADABS; Bruker, 2008[Bruker (2008). SADABS, SAINT and XPREP. Bruker AXS Inc., Madison, Wisconsin, USA.]) Tmin = 0.409, Tmax = 0.713

  • 33198 measured reflections

  • 8253 independent reflections

  • 7779 reflections with I > 2[sigma](I)

  • Rint = 0.031
Refinement

  • R[F2 > 2[sigma](F2)] = 0.018

  • wR(F2) = 0.039

  • S = 1.03

  • 8253 reflections

  • 388 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 0.65 e Å-3

  • [Delta][rho]min = -0.54 e Å-3

Table 1
Hydrogen-bond geometry (Å, °)

Cg1, Cg2, Cg3 and Cg4 are the centroids of the C33-C38, C2-C7, C8-C13 and C27-C32 rings, repectively.
D-H...A D-H H...A D...A D-H...A
C7-H7...Cl2i 0.95 2.85 3.532 (2) 130
C26-H26...Cl2 0.95 2.72 3.555 (2) 147
C29-H29...Cl1ii 0.95 2.93 3.731 (2) 143
C16-H16...Cg1ii 0.95 2.73 3.443 (3) 132
C23-H23...Cg2iii 0.95 2.63 3.536 (2) 159
C29-H29...Cg3ii 0.95 2.99 3.525 (2) 117
C36-H36...Cg4iv 0.95 2.77 3.708 (3) 169
Symmetry codes: (i) -x+1, -y, -z+1; (ii) -x+1, -y+1, -z; (iii) -x, -y, -z+1; (iv) x-1, y, z.

Data collection: APEX2 (Bruker, 2011[Bruker (2011). APEX2. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 2008[Bruker (2008). SADABS, SAINT and XPREP. Bruker AXS Inc., Madison, Wisconsin, USA.]); data reduction: SAINT and XPREP (Bruker, 2008[Bruker (2008). SADABS, 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: publCIF (Westrip, 2010[Westrip, S. P. (2010). J. Appl. Cryst. 43, 920-925.]) and 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: NG5305 ).

Acknowledgements

The Research Fund of the University of Johannesburg is gratefully acknowledged.

References

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). SADABS, SAINT and XPREP. Bruker AXS Inc., Madison, Wisconsin, USA.
Bruker (2011). APEX2. Bruker AXS Inc., Madison, Wisconsin, USA.
Davis, W. L. & Meijboom, R. (2011). Acta Cryst. E67, m1800.  [CSD] [CrossRef] [details]
Farrugia, L. J. (2012). J. Appl. Cryst. 45, 849-854.  [ISI] [CrossRef] [ChemPort] [details]
Muller, A. & Meijboom, R. (2010). Acta Cryst. E66, m1420.  [CSD] [CrossRef] [details]
Otto, S. (2001). Acta Cryst. C57, 793-795.  [CSD] [CrossRef] [ChemPort] [details]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Spessard, G. O. & Miessler, G. L. (1996). Organometallic Chemistry, pp. 131-135 Upper Saddle River, New Jersey, USA: Prentice Hall.
Tolman, C. A. (1977). Chem. Rev. 77, 313-348.  [CrossRef] [ChemPort] [ISI]
Westrip, S. P. (2010). J. Appl. Cryst. 43, 920-925.  [ISI] [CrossRef] [ChemPort] [details]

Acta Cryst (2012). E68, m1512  [ doi:10.1107/S160053681204696X ]

This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.