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Volume 69 
Part 4 
Page m226  
April 2013  

Received 28 February 2013
Accepted 18 March 2013
Online 23 March 2013

Key indicators
Single-crystal X-ray study
T = 173 K
Mean [sigma](C-C) = 0.008 Å
Disorder in solvent or counterion
R = 0.061
wR = 0.148
Data-to-parameter ratio = 13.8
Details
Open access

cis,cis,cis-(Acetato-[kappa]2O,O')bis[1,2-bis(diphenylphosphanyl)ethane-[kappa]2P,P']ruthenium(II) 0.75-trifluoromethanesulfonate 0.25-chloride

aCQM - Centro de Química da Madeira, MMRG, Universidade da Madeira, Campus Universitário da Penteada, 9000-390 Funchal, Portugal, and bUniversity of Jyväskylä, Department of Chemistry, PO Box 35, FIN-40014 Jyväskylä, Finland
Correspondence e-mail: arto.m.valkonen@jyu.fi

In the title RuII carboxylate compound, [Ru(C2H3O2)(C26H24P2)2](CF3O3S)0.75Cl0.25, the distorted tris-bidentate octahedral stereochemistry about the RuII atom in the complex cation comprises four P-atom donors from two 1,2-bis(diphenylphosphanyl)ethane ligands [Ru-P = 2.2881 (13)-2.3791 (13) Å] and two O-atom donors from the acetate ligand [Ru-O = 2.191 (3) and 2.202 (3) Å]. The disordered counter-anions are located on the same site in the structure in a 3:1 ratio, the expanded formula comprising four complex cations, three trifluoromethanesulfonate anions and one chloride anion, with two such formula units in the unit cell.

Related literature

For applications of RuII carboxylate complexes, see: Kilbas et al. (2012[Kilbas, B., Mirtschin, S., Riis-Johannessen, T., Scopelliti, R. & Severin, K. (2012). Inorg. Chem. 51, 5795-5804.]); Mikuriya et al. (2011[Mikuriya, M., Yoshioka, D., Borta, A., Luneau, D., Matoga, D., Szklarzewicz, J. & Handa, M. (2011). New J. Chem. 35, 1226-1233.]); Hiett et al. (2011[Hiett, N. P., Lynam, J. M., Welby, C. E. & Whitwood, A. C. (2011). J. Organomet. Chem. 696, 378-387.]); Liu et al. (2012[Liu, Y., Yang, G.-C., Liu, C.-G., Sun, S.-L. & Qiu, Y.-Q. (2012). Int. J. Quantum Chem. 112, 779-788.]). For similar complexes, see: Holle et al. (1997[Holle, S., Jolly, P. W. & Kuhnigk, J. (1997). J. Organomet. Chem. 543, 255-258.]); Wyman et al. (2004[Wyman, I. W., Burchell, T. J., Robertson, K. N., Cameron, T. S. & Aquino, M. A. S. (2004). Organometallics, 23, 5353-5364.]); Lucas et al. (2000[Lucas, N. T., Powell, C. E. & Humphrey, M. G. (2000). Acta Cryst. C56, e392-e393.]).

[Scheme 1]

Experimental

Crystal data
  • [Ru(C2H3O2)(C26H24P2)2](CF3O3S)0.75Cl0.25

  • Mr = 4310.25

  • Orthorhombic, P b c a

  • a = 15.7463 (2) Å

  • b = 21.8914 (3) Å

  • c = 28.6122 (4) Å

  • V = 9862.9 (2) Å3

  • Z = 2

  • Mo K[alpha] radiation

  • [mu] = 0.55 mm-1

  • T = 173 K

  • 0.25 × 0.20 × 0.15 mm

Data collection
  • Bruker-Nonius KappaCCD diffractometer with APEXII detector

  • Absorption correction: multi-scan (DENZO-SMN; Otwinowski & Minor, 1997[Otwinowski, Z. & Minor, W. (1997). Methods in Enzymology, Vol. 276, Macromolecular Crystallography, Part A, Edited by C. W. Carter & R. M. Sweet, pp. 307-326. London: Academic Press.]) Tmin = 0.875, Tmax = 0.922

  • 16563 measured reflections

  • 8662 independent reflections

  • 7095 reflections with I > 2[sigma](I)

  • Rint = 0.036

Refinement
  • R[F2 > 2[sigma](F2)] = 0.061

  • wR(F2) = 0.148

  • S = 1.13

  • 8662 reflections

  • 626 parameters

  • 7 restraints

  • H-atom parameters constrained

  • [Delta][rho]max = 0.90 e Å-3

  • [Delta][rho]min = -1.04 e Å-3

Data collection: COLLECT (Bruker, 2004[Bruker (2004). COLLECT. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: DENZO-SMN (Otwinowski & Minor, 1997[Otwinowski, Z. & Minor, W. (1997). Methods in Enzymology, Vol. 276, Macromolecular Crystallography, Part A, Edited by C. W. Carter & R. M. Sweet, pp. 307-326. London: Academic Press.]); data reduction: DENZO-SMN; program(s) used to solve structure: SHELXS86 (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: ORTEP-3 for Windows (Farrugia, 2012[Farrugia, L. J. (2012). J. Appl. Cryst. 45, 849-854.]); software used to prepare material for publication: WinGX (Farrugia, 2012[Farrugia, L. J. (2012). J. Appl. Cryst. 45, 849-854.]).


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: ZS2249 ).


Acknowledgements

The authors thank the Fundação para a Ciência e a Tecnologia (FCT) for JF's PhD grant (SFRH/BD/29325/2006), the pluriannual base funding of CQM (PEst-OE/QUI/UI0674/2011), research project PTDC/CTM/098451/2008 and Academy Professor Kari Rissanen for some practical advice and financial aid from his Academy of Finland funding (project Nos. 130629, 122350 and 140718). The Portuguese Mass Spectrometry Network - RNEM 2013 and the Portuguese Nuclear Magnetic Resonance Network - PTNMR 2013 and the support of Vidamar Resorts are acknowledged.

References

Bruker (2004). COLLECT. Bruker AXS Inc., Madison, Wisconsin, USA.
Farrugia, L. J. (2012). J. Appl. Cryst. 45, 849-854.  [ISI] [CrossRef] [ChemPort] [details]
Hiett, N. P., Lynam, J. M., Welby, C. E. & Whitwood, A. C. (2011). J. Organomet. Chem. 696, 378-387.  [CSD] [CrossRef] [ChemPort]
Holle, S., Jolly, P. W. & Kuhnigk, J. (1997). J. Organomet. Chem. 543, 255-258.  [CrossRef] [ChemPort]
Kilbas, B., Mirtschin, S., Riis-Johannessen, T., Scopelliti, R. & Severin, K. (2012). Inorg. Chem. 51, 5795-5804.  [ISI] [CSD] [CrossRef] [ChemPort] [PubMed]
Liu, Y., Yang, G.-C., Liu, C.-G., Sun, S.-L. & Qiu, Y.-Q. (2012). Int. J. Quantum Chem. 112, 779-788.  [ISI] [CrossRef] [ChemPort]
Lucas, N. T., Powell, C. E. & Humphrey, M. G. (2000). Acta Cryst. C56, e392-e393.  [CrossRef] [details]
Mikuriya, M., Yoshioka, D., Borta, A., Luneau, D., Matoga, D., Szklarzewicz, J. & Handa, M. (2011). New J. Chem. 35, 1226-1233.  [ISI] [CSD] [CrossRef] [ChemPort]
Otwinowski, Z. & Minor, W. (1997). Methods in Enzymology, Vol. 276, Macromolecular Crystallography, Part A, Edited by C. W. Carter & R. M. Sweet, pp. 307-326. London: Academic Press.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Wyman, I. W., Burchell, T. J., Robertson, K. N., Cameron, T. S. & Aquino, M. A. S. (2004). Organometallics, 23, 5353-5364.  [CSD] [CrossRef] [ChemPort]


Acta Cryst (2013). E69, m226  [ doi:10.1107/S160053681300737X ]

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