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Volume 69 
Part 1 
Page m28  
January 2013  

Received 12 November 2012
Accepted 3 December 2012
Online 8 December 2012

Key indicators
Single-crystal X-ray study
T = 100 K
Mean [sigma](C-C) = 0.005 Å
R = 0.059
wR = 0.164
Data-to-parameter ratio = 17.0
Details
Open access

([eta]6-p-Cymene)(1,3-dimesityl-2,3-dihydro-1H-imidazol-2-ylidene)bis(pentafluorobenzoato-[kappa]O)ruthenium(II) dichloromethane disolvate

aInstitut für Polymerchemie, Universität Stuttgart, Pfaffenwaldring 55, D-70569 Stuttgart, Germany, and bInstitut für Organische Chemie, Universität Stuttgart, Pfaffenwaldring 55, D-70569 Stuttgart, Germany
Correspondence e-mail: michael.buchmeiser@ipoc.uni-stuttgart.de

The title compound, [Ru(C7F5O2)2(C10H14)(C21H24N2)]·2CH2Cl2, is formed as an orange crystalline powder by the reaction of RuCl2(p-cymene)(IMes) and AgOCOC6F5 in anhydrous tetrahydrofuran (IMes = 1,3-dimesityl-2,3-dihydro-1H-imidazol-2-ylidene). The asymetric unit consists of two independent [Ru(C6F5COO)2([eta]6-p-cymene)(IMes)] complexes and four dichloromethane solvent molecules. In each complex molecule, the Ru atom presents a pseudo-octahedral environment with the p-cymene ligand occupying three facial coordination sites, while the remaining coordination positions are occupied by the O atoms of the pentafluorobenzoate ligands and by the imidazolylidene ligand.

Related literature

For general background to latent olefin metathesis catalysts, see: Monsaert et al. (2009[Monsaert, S., Vila, A. L., Drozdzak, R., Van Der Voort, P. & Verpoort, F. (2009). Chem. Soc. Rev. 38, 3360-3372.]). For ring-closing metathesis (RCM) studies of RuII-p-cymene, see: Jafarpour et al. (1999[Jafarpour, L., Huang, J., Stevens, E. D. & Nolan, S. P. (1999). Organometallics, 18, 3760-3763.]). For related synthetic procedures and structures, see: Zhang et al. (2006[Zhang, Y., Wang, D., Lönnecke, P., Scherzer, T. & Buchmeiser, M. R. (2006). Marcromol. Symp. 236, 30-37.]); Buchmeiser et al. (2007[Buchmeiser, M. R., Wang, D., Zhang, Y., Naumov, S. & Wurst, K. (2007). Eur. J. Inorg. Chem. pp. 3988-4000.]). For their applications in UV-triggerable-ROMP, see: Wang et al. (2008[Wang, D., Wurst, K., Knolle, W., Decker, U., Prager, L., Naumov, S. & Buchmeiser, M. R. (2008). Angew. Chem. Int. Ed. 47, 3267-3270.], 2010[Wang, D., Wurst, K. & Buchmeiser, M. R. (2010). Chem. Eur. J. 16, 12928-12934.]).

[Scheme 1]

Experimental

Crystal data
  • [Ru(C7F5O2)2(C10H14)(C21H24N2)]·2CH2Cl2

  • Mr = 1131.70

  • Monoclinic, P 21 /n

  • a = 18.0951 (11) Å

  • b = 22.4608 (14) Å

  • c = 23.4293 (14) Å

  • [beta] = 104.782 (3)°

  • V = 9207.2 (10) Å3

  • Z = 8

  • Mo K[alpha] radiation

  • [mu] = 0.66 mm-1

  • T = 100 K

  • 0.63 × 0.30 × 0.16 mm

Data collection
  • Bruker Kappa APEXII DUO diffractometer

  • Absorption correction: multi-scan (Blessing, 1995[Blessing, R. H. (1995). Acta Cryst. A51, 33-38.]) Tmin = 0.653, Tmax = 0.746

  • 88410 measured reflections

  • 21150 independent reflections

  • 16066 reflections with I > 2[sigma](I)

  • Rint = 0.037

Refinement
  • R[F2 > 2[sigma](F2)] = 0.059

  • wR(F2) = 0.164

  • S = 1.09

  • 21150 reflections

  • 1243 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 5.08 e Å-3

  • [Delta][rho]min = -2.32 e Å-3

Data collection: APEX2 (Bruker, 2008[Bruker (2008). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 2008[Bruker (2008). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]); data reduction: SAINT; 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: XP in SHELXTL-Plus (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); software used to prepare material for publication: publCIF (Westrip, 2010[Westrip, S. P. (2010). J. Appl. Cryst. 43, 920-925.]).


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: IM2412 ).


Acknowledgements

Finalcial support provided by the DFG (BU 2174/8-1) is gratefully acknowledged.

References

Blessing, R. H. (1995). Acta Cryst. A51, 33-38.  [CrossRef] [details]
Bruker (2008). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.
Buchmeiser, M. R., Wang, D., Zhang, Y., Naumov, S. & Wurst, K. (2007). Eur. J. Inorg. Chem. pp. 3988-4000.  [ISI] [CSD] [CrossRef]
Jafarpour, L., Huang, J., Stevens, E. D. & Nolan, S. P. (1999). Organometallics, 18, 3760-3763.  [CrossRef] [ChemPort]
Monsaert, S., Vila, A. L., Drozdzak, R., Van Der Voort, P. & Verpoort, F. (2009). Chem. Soc. Rev. 38, 3360-3372.  [ISI] [CrossRef] [ChemPort] [PubMed]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Wang, D., Wurst, K. & Buchmeiser, M. R. (2010). Chem. Eur. J. 16, 12928-12934.  [CSD] [CrossRef] [ChemPort] [PubMed]
Wang, D., Wurst, K., Knolle, W., Decker, U., Prager, L., Naumov, S. & Buchmeiser, M. R. (2008). Angew. Chem. Int. Ed. 47, 3267-3270.  [ISI] [CSD] [CrossRef] [ChemPort]
Westrip, S. P. (2010). J. Appl. Cryst. 43, 920-925.  [ISI] [CrossRef] [ChemPort] [details]
Zhang, Y., Wang, D., Lönnecke, P., Scherzer, T. & Buchmeiser, M. R. (2006). Marcromol. Symp. 236, 30-37.  [CSD] [CrossRef] [ChemPort]


Acta Cryst (2013). E69, m28  [ doi:10.1107/S1600536812049513 ]

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