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Volume 68 
Part 12 
Pages m1446-m1447  
December 2012  

Received 15 October 2012
Accepted 29 October 2012
Online 3 November 2012

Key indicators
Single-crystal X-ray study
T = 100 K
Mean [sigma](C-C) = 0.002 Å
R = 0.018
wR = 0.048
Data-to-parameter ratio = 22.7
Details
Open access

([eta]6-Benzene)dichlorido(dicyclohexylphenylphosphane)ruthenium(II) benzene sesquisolvate

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: daviswl24@yahoo.com

The asymmetric unit of the title compound, [RuCl2(C6H6)(C18H27P)]·1.5C6H6, contains one molecule of the RuII complex and one and a half solvent molecules as one of these is located about a centre of inversion. The RuII atom has a classical three-legged piano-stool environment being coordinated by an [eta]6-benzene ligand [Ru-centroid = 1.6964 (6) Å], two chloride ligands with an average Ru-Cl bond length of 2.4138 (3) Å and a dicyclohexylphenylphosphane ligand [Ru-P = 2.3786 (3) Å]. The effective cone angle for the phosphane was calculated to be 158°. In the crystal, weak C-H...Cl hydrogen bonds link the RuII complexes into centrosymmetric dimers. The crystal packing exhibits intra- and intermolecular C-H...[pi] interactions resulting in a zigzag pattern in the [101] direction.

Related literature

For background to the catalytic activity of RuII-arene complexes, see: Chen et al. (2002[Chen, Y., Valentini, M., Pregosin, P. S. & Albinati, A. (2002). Inorg. Chim. Acta, 327, 4-14.]); Crochet et al. (2003[Crochet, P., Fernández-Zumel, M. A., Beauquis, C. & Gimeno, J. (2003). Inorg. Chim. Acta, 356, 114-120.]); Aydemir et al. (2011[Aydemir, M., Baysal, A., Meric, N., Kayan, C., Gümgüm, B., Özkar, S. & Sahin, E. (2011). Inorg. Chim. Acta, 356, 114-120.]); Wang et al. (2011[Wang, L., Yang, Q., Fu, H.-Y., Chen, H., Yuan, M.-L. & Li, R.-X. (2011). Appl. Organomet. Chem. 25, 626-631.]). For ring-opening metathesis polymerization with Ru-arene complexes, see: Stumpf et al. (1995[Stumpf, A. W., Saive, E., Demonceau, A. & Noels, A. F. (1995). J. Chem. Soc. Chem. Commun. pp. 1127-1128.]). 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 a description of the Cambridge Structural Database, see: Allen (2002[Allen, F. H. (2002). Acta Cryst. B58, 380-388.]).

[Scheme 1]

Experimental

Crystal data
  • [RuCl2(C6H6)(C18H27P)]·1.5C6H6

  • Mr = 641.61

  • Triclinic, [P \overline 1]

  • a = 10.0893 (8) Å

  • b = 10.8325 (9) Å

  • c = 14.4937 (12) Å

  • [alpha] = 90.346 (2)°

  • [beta] = 91.748 (1)°

  • [gamma] = 106.979 (1)°

  • V = 1514.1 (2) Å3

  • Z = 2

  • Mo K[alpha] radiation

  • [mu] = 0.77 mm-1

  • T = 100 K

  • 0.43 × 0.17 × 0.16 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 = 0.734, Tmax = 0.887

  • 49345 measured reflections

  • 7589 independent reflections

  • 7093 reflections with I > 2[sigma](I)

  • Rint = 0.022

Refinement
  • R[F2 > 2[sigma](F2)] = 0.018

  • wR(F2) = 0.048

  • S = 1.03

  • 7589 reflections

  • 334 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 0.54 e Å-3

  • [Delta][rho]min = -0.43 e Å-3

Table 1
Hydrogen-bond geometry (Å, °)

Cg1 and Cg2 are the centroids of the C19-C24 and C31-C33/C31'-C33') benzene rings.

D-H...A D-H H...A D...A D-H...A
C3-H3...Cl2i 0.95 2.76 3.6307 (13) 153
C4-H4...Cl1i 0.95 2.7 3.6209 (13) 163
C6-H6...Cg1 0.95 2.78 3.5086 (14) 135
C2-H2...Cg2ii 0.95 2.73 3.5869 (15) 150
Symmetry codes: (i) -x+1, -y+2, -z+1; (ii) x, y+1, 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, 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: CV5349 ).


Acknowledgements

Financial assistance from the Research Fund 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]
Aydemir, M., Baysal, A., Meric, N., Kayan, C., Gümgüm, B., Özkar, S. & Sahin, E. (2011). Inorg. Chim. Acta, 356, 114-120.
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.
Chen, Y., Valentini, M., Pregosin, P. S. & Albinati, A. (2002). Inorg. Chim. Acta, 327, 4-14.  [ISI] [CrossRef] [ChemPort]
Crochet, P., Fernández-Zumel, M. A., Beauquis, C. & Gimeno, J. (2003). Inorg. Chim. Acta, 356, 114-120.  [ISI] [CrossRef] [ChemPort]
Farrugia, L. J. (1999). J. Appl. Cryst. 32, 837-838.  [CrossRef] [ChemPort] [details]
Otto, S. (2001). Acta Cryst. C57, 793-795.  [CSD] [CrossRef] [ChemPort] [details]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Stumpf, A. W., Saive, E., Demonceau, A. & Noels, A. F. (1995). J. Chem. Soc. Chem. Commun. pp. 1127-1128.  [CrossRef] [ISI]
Tolman, C. A. (1977). Chem. Rev. 77, 313-348.  [CrossRef] [ChemPort] [ISI]
Wang, L., Yang, Q., Fu, H.-Y., Chen, H., Yuan, M.-L. & Li, R.-X. (2011). Appl. Organomet. Chem. 25, 626-631.  [ISI] [CSD] [CrossRef] [ChemPort]
Westrip, S. P. (2010). J. Appl. Cryst. 43, 920-925.  [ISI] [CrossRef] [ChemPort] [details]


Acta Cryst (2012). E68, m1446-m1447   [ doi:10.1107/S1600536812044674 ]

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