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Volume 68 
Part 12 
Page m1465  
December 2012  

Received 22 October 2012
Accepted 3 November 2012
Online 10 November 2012

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Key indicators
Single-crystal X-ray study
T = 173 K
Mean [sigma](C-C) = 0.004 Å
R = 0.030
wR = 0.068
Data-to-parameter ratio = 13.7
Details
Open access

Dichlorido([eta]6-p-cymene)(ethoxydiphenylphosphane)ruthenium(II)

Spring M. M. Knapp,a Lev N. Zakharova and David R. Tylera*

aDepartment of Chemistry, 1253 University of Oregon, Eugene, Oregon 97403-1253, USA
Correspondence e-mail: dtyler@uoregon.edu

The title compound, [RuCl2(C10H14)(C14H15OP)], is an RuII complex in which an [eta]6-p-cymene ligand, two chloride anions and the P atom of an ethoxydiphenylphosphane ligand form a piano-stool coordination environment about the central RuII atom.

Related literature

For related structures [Ru([eta]6-p-cymene)Cl2PPh3] and [Ru([eta]6-p-cymene)Cl2PPhOEt2], see: Elsegood et al. (2006[Elsegood, M. R. J., Smith, M. B. & Sanchez-Ballester, N. M. (2006). Acta Cryst. E62, m2838-m2840.]) and Albertin et al. (2010[Albertin, G., Antoniutti, S., Castro, J. & Paganelli, S. (2010). J. Organomet. Chem. 695, 2142-2152.]), respectively. For the application of similar complexes as nitrile hydration catalysts, see: Ahmed et al. (2009[Ahmed, T. J., Fox, B. R., Knapp, S. M. M., Yelle, R. B., Juliette, J. J. & Tyler, D. R. (2009). Inorg. Chem. 48, 7828-7837.]); Cavarzan et al. (2010[Cavarzan, A., Scarso, A. & Strukul, G. (2010). Green Chem. 12, 790-794.]); Cadierno et al. (2008[Cadierno, V., Francos, J. & Gimeno, J. (2008). Chem. Eur. J. 14, 6601-6605.]); García-Álvarez et al. (2010[García-Álvarez, R., Díez, J., Crochet, P. & Cadierno, V. (2010). Organometallics, 29, 3955-3965.], 2011[García-Álvarez, R., Díez, J., Crochet, P. & Cadierno, V. (2011). Organometallics, 30, 5442-5451.]); Knapp et al. (2012[Knapp, S. M. M., Sherbow, T. J., Juliette, J. J. & Tyler, D. R. (2012). Organometallics, 31, 2941-2944.]).

[Scheme 1]

Experimental

Crystal data

  • [RuCl2(C10H14)(C14H15OP)]

  • Mr = 536.41

  • Monoclinic, P 21 /n

  • a = 13.1818 (7) Å

  • b = 10.8481 (6) Å

  • c = 16.6888 (9) Å

  • [beta] = 95.060 (1)°

  • V = 2377.2 (2) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 0.97 mm-1

  • T = 173 K

  • 0.23 × 0.18 × 0.06 mm
Data collection

  • Bruker APEX CCD area-detector diffractometer

  • Absorption correction: multi-scan (SADABS; Sheldrick, 1995[Sheldrick, G. M. (1995). SADABS. University of Göttingen, Germany.]) Tmin = 0.809, Tmax = 0.944

  • 15739 measured reflections

  • 5164 independent reflections

  • 4294 reflections with I > 2[sigma](I)

  • Rint = 0.028
Refinement

  • R[F2 > 2[sigma](F2)] = 0.030

  • wR(F2) = 0.068

  • S = 1.05

  • 5164 reflections

  • 378 parameters

  • All H-atom parameters refined

  • [Delta][rho]max = 0.50 e Å-3

  • [Delta][rho]min = -0.47 e Å-3

Table 1
Selected geometric parameters (Å, °) for the title compound and related compounds

[Sigma] angles = sum of P-Ru-Cl1, P-Ru-Cl2, and Cl1-Ru- Cl2 angles.
  Title compound [Ru([eta]6-p-cymene)Cl2PPhOEt2]a [Ru([eta]6-p-cymene)Cl2PPh3]b
Ru-P 2.3147 (6) 2.2807 (7) 2.3438 (6)
Ru-Cl1 2.4124 (6) 2.4171 (7) 2.4154 (6)
Ru-Cl2 2.3992 (6) 2.4038 (7) 2.4151 (6)
Ru-C(av) 2.217 (1) 2.218 (4) 2.218 (2)
P-Ru - Cl1 90.67 (2) 87.59 (2) 87.094 (19)
P-Ru - Cl2 84.75 (2) 87.89 (2) 90.27 (2)
Cl1-Ru - Cl2 90.04 (2) 88.81 (2) 88.41 (2)
[Sigma] angles 265.46 264.29 265.77
Notes: (a) Albertin et al. (2010[Albertin, G., Antoniutti, S., Castro, J. & Paganelli, S. (2010). J. Organomet. Chem. 695, 2142-2152.]); (b) Elsegood et al. (2006[Elsegood, M. R. J., Smith, M. B. & Sanchez-Ballester, N. M. (2006). Acta Cryst. E62, m2838-m2840.]).

Data collection: SMART (Bruker, 2000[Bruker (2000). SMART and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 2000[Bruker (2000). SMART 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: SJ5274 ).

Acknowledgements

Acknowledgement is made to the NSF (CHE-0719171) for the support of research carried out in the authors' laboratory. SMMK also wishes to acknowledge the US Department of Education (P200A070436) and the NSF Graduate STEM Fellows in K-12 Education (GK-12) program (DGE-0742540) for additional support.

References

Ahmed, T. J., Fox, B. R., Knapp, S. M. M., Yelle, R. B., Juliette, J. J. & Tyler, D. R. (2009). Inorg. Chem. 48, 7828-7837.  [ISI] [CrossRef] [PubMed] [ChemPort]
Albertin, G., Antoniutti, S., Castro, J. & Paganelli, S. (2010). J. Organomet. Chem. 695, 2142-2152.  [CSD] [CrossRef] [ChemPort]
Bruker (2000). SMART and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.
Cadierno, V., Francos, J. & Gimeno, J. (2008). Chem. Eur. J. 14, 6601-6605.  [CrossRef] [PubMed] [ChemPort]
Cavarzan, A., Scarso, A. & Strukul, G. (2010). Green Chem. 12, 790-794.  [ISI] [CrossRef] [ChemPort]
Elsegood, M. R. J., Smith, M. B. & Sanchez-Ballester, N. M. (2006). Acta Cryst. E62, m2838-m2840.  [CSD] [CrossRef] [details]
García-Álvarez, R., Díez, J., Crochet, P. & Cadierno, V. (2010). Organometallics, 29, 3955-3965.
García-Álvarez, R., Díez, J., Crochet, P. & Cadierno, V. (2011). Organometallics, 30, 5442-5451.
Knapp, S. M. M., Sherbow, T. J., Juliette, J. J. & Tyler, D. R. (2012). Organometallics, 31, 2941-2944.  [CrossRef] [ChemPort]
Sheldrick, G. M. (1995). SADABS. University of Göttingen, Germany.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]

Acta Cryst (2012). E68, m1465  [ doi:10.1107/S1600536812045461 ]

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