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Volume 69 
Part 4 
Page m218  
April 2013  

Received 23 February 2013
Accepted 7 March 2013
Online 16 March 2013

Key indicators
Single-crystal X-ray study
T = 296 K
Mean [sigma](C-C) = 0.011 Å
R = 0.029
wR = 0.080
Data-to-parameter ratio = 15.7
Details
Open access

Chlorido[1,1'-(5-methyl-1,3-phenylene)bis(3,5-dimethyl-1H-imidazol-2-ylidene)]platinum(II)

aDepartment of Chemistry, Shanghai University, Shanghai 200444, People's Republic of China, and bKey Laboratory of Advanced Display and System Applications, Ministry of Education, Shanghai University, Shanghai 200072, People's Republic of China
Correspondence e-mail: zxwang78@shu.edu.cn

In the title compound, [Pt(C17H19N4)Cl], the PtII cation is C,C',C''-chelated by the 1,1'-(5-methyl-1,3-phenylene)bis(3,5-dimethyl-1H-imidazolylidene) anion and coordinated by a Cl- anion in a distorted square-planar coordination geometry. [pi]-[pi] stacking is observed between nearly parallel imidazole and benzene rings of adjacent molecules, the centroid-centroid distance being 3.802 (4) Å.

Related literature

For the application of PtII complexes in organic light-emitting diodes, see: Yang et al. (2008[Yang, X.-Y., Wang, Z., Madakuni, S., Li, J. & Jabbour, G. E. (2008). Adv. Mater. 20, 2405-2409.]); Bakken et al. (2012[Bakken, N., Wang, Z. & Li, J. (2012). J. Photon. Energy, 2, 021203.]); Fleetham et al. (2012[Fleetham, T., Wang, Z. & Li, J. (2012). Org. Electron. 13, 1430-1435.]). For a related compound, see: Wang et al. (2010[Wang, Z., Tuner, E., Mahoney, V., Madakuni, S., Groy, T. & Li, J. (2010). Inorg. Chem. 49, 11276-11286.]).

[Scheme 1]

Experimental

Crystal data
  • [Pt(C17H19N4)Cl]

  • Mr = 509.90

  • Monoclinic, P 21 /n

  • a = 11.042 (5) Å

  • b = 14.552 (6) Å

  • c = 11.524 (5) Å

  • [beta] = 116.049 (4)°

  • V = 1663.6 (12) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 8.60 mm-1

  • T = 296 K

  • 0.16 × 0.13 × 0.07 mm

Data collection
  • Bruker APEXII CCD diffractometer

  • Absorption correction: multi-scan (SADABS; Bruker, 2001[Bruker (2001). SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]) Tmin = 0.340, Tmax = 0.584

  • 8411 measured reflections

  • 2958 independent reflections

  • 2579 reflections with I > 2[sigma](I)

  • Rint = 0.026

Refinement
  • R[F2 > 2[sigma](F2)] = 0.029

  • wR(F2) = 0.080

  • S = 1.07

  • 2958 reflections

  • 189 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 1.78 e Å-3

  • [Delta][rho]min = -2.04 e Å-3

Table 1
Selected bond lengths (Å)

Pt1-C1 1.909 (6)
Pt1-C9 2.045 (6)
Pt1-C10 2.040 (6)
Pt1-Cl1 2.4295 (19)

Data collection: APEX2 (Bruker, 2007[Bruker (2007). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 2007[Bruker (2007). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]); data reduction: SAINT; program(s) used to solve structure: SHELXTL (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL.


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: XU5680 ).


Acknowledgements

Z-XW thanks the Foundation for SRF for ROCS, SEM, Innovative Foundation of Shanghai University, and Shanghai Municipal Education Commission Special Research Fund for Excellent Young College and University Teachers.

References

Bakken, N., Wang, Z. & Li, J. (2012). J. Photon. Energy, 2, 021203.  [CrossRef]
Bruker (2001). SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.
Bruker (2007). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.
Fleetham, T., Wang, Z. & Li, J. (2012). Org. Electron. 13, 1430-1435.  [ISI] [CrossRef] [ChemPort]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Wang, Z., Tuner, E., Mahoney, V., Madakuni, S., Groy, T. & Li, J. (2010). Inorg. Chem. 49, 11276-11286.  [ISI] [CSD] [CrossRef] [ChemPort] [PubMed]
Yang, X.-Y., Wang, Z., Madakuni, S., Li, J. & Jabbour, G. E. (2008). Adv. Mater. 20, 2405-2409.  [ISI] [CrossRef] [ChemPort]


Acta Cryst (2013). E69, m218  [ doi:10.1107/S1600536813006545 ]

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