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Volume 67 
Part 10 
Page m1335  
October 2011  

Received 24 August 2011
Accepted 30 August 2011
Online 14 September 2011

Key indicators
Single-crystal X-ray study
T = 100 K
Mean [sigma](C-C) = 0.005 Å
Disorder in main residue
R = 0.033
wR = 0.075
Data-to-parameter ratio = 18.9
Details
Open access

Bis(acrylonitrile-[kappa]N)dichlorido([eta]4-cycloocta-1,5-diene)ruthenium(II)

aResearch Centre for Synthesis and Catalysis, Department of Chemistry, University of Johannesburg, PO Box 524, Auckland Park, 2006 Johannesburg, South Africa
Correspondence e-mail: harrychiririwa@yahoo.com

In the title complex, [RuCl2(C8H12)(C3H3N)2], the metal ion is coordinated to centers of each of the double bonds of the cycloocta-1,5-diene ligand, to two chloride ions (in cis positions) and to two N-atom donors from two acrylonitrile molecules that complete the coordination sphere for the neutral complex. The coordination about the RuII atom can thus be considered octahedral with slight trigonal distortion. The three C atoms of one of the acrylonitrile ligands are disordered over two sets of sites in a 0.581 (13):0.419 (13) ratio.

Related literature

For a review of related compounds, see: Chiririwa et al. (2011[Chiririwa, H., Meijboom, R., Owalude, S. O., Eke, U. B. & Arderne, C. (2011). Acta Cryst. E67, m1096.]). For the synthesis of starting materials, see: Ashworth et al. (1987[Ashworth, T. V., Liles, D. C., Robinson, D. J., Singleton, E., Coville, N. J., Darling, E. & Markwell, J. (1987). S. Afr. J. Chem. 40(3), 183-188.])

[Scheme 1]

Experimental

Crystal data
  • [RuCl2(C8H12)(C3H3N)2]

  • Mr = 386.27

  • Monoclinic, P 21 /c

  • a = 7.1079 (8) Å

  • b = 26.818 (3) Å

  • c = 8.1555 (10) Å

  • [beta] = 101.408 (2)°

  • V = 1523.9 (3) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 1.37 mm-1

  • T = 100 K

  • 0.22 × 0.09 × 0.04 mm

Data collection
  • Bruker APEXII CCD diffractometer

  • 12653 measured reflections

  • 3776 independent reflections

  • 3093 reflections with I > 2[sigma](I)

  • Rint = 0.040

Refinement
  • R[F2 > 2[sigma](F2)] = 0.033

  • wR(F2) = 0.075

  • S = 1.03

  • 3776 reflections

  • 200 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 1.14 e Å-3

  • [Delta][rho]min = -1.11 e Å-3

Data collection: APEX2 (Bruker, 2007[Bruker (2007). APEX2, SADABS, SAINT-Plus and XPREP. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT-Plus (Bruker, 2007[Bruker (2007). APEX2, SADABS, SAINT-Plus and XPREP. Bruker AXS Inc., Madison, Wisconsin, USA.]); data reduction: SAINT-Plus and XPREP (Bruker, 2007[Bruker (2007). APEX2, SADABS, SAINT-Plus and XPREP. Bruker AXS Inc., Madison, Wisconsin, USA.]); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); 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.]) and ORTEP-3 (Farrugia, 1997[Farrugia, L. J. (1997). J. Appl. Cryst. 30, 565.]); 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: JH2321 ).


Acknowledgements

Financial assistance from the South African National Research Foundation (SA NRF), the Research Fund of the University of Johannesburg and SASOL is gratefully acknowledged.

References

Ashworth, T. V., Liles, D. C., Robinson, D. J., Singleton, E., Coville, N. J., Darling, E. & Markwell, J. (1987). S. Afr. J. Chem. 40(3), 183-188.
Brandenburg, K. & Putz, H. (2005). DIAMOND. Crystal Impact GbR, Bonn, Germany.
Bruker (2007). APEX2, SADABS, SAINT-Plus and XPREP. Bruker AXS Inc., Madison, Wisconsin, USA.
Chiririwa, H., Meijboom, R., Owalude, S. O., Eke, U. B. & Arderne, C. (2011). Acta Cryst. E67, m1096.  [CrossRef] [details]
Farrugia, L. J. (1997). J. Appl. Cryst. 30, 565.  [CrossRef] [details]
Farrugia, L. J. (1999). J. Appl. Cryst. 32, 837-838.  [CrossRef] [ChemPort] [details]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]


Acta Cryst (2011). E67, m1335  [ doi:10.1107/S1600536811035380 ]

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