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Volume 69 
Part 6 
Page m343  
June 2013  

Received 6 May 2013
Accepted 23 May 2013
Online 31 May 2013

Key indicators
Single-crystal X-ray study
T = 296 K
Mean [sigma](C-C) = 0.008 Å
R = 0.054
wR = 0.154
Data-to-parameter ratio = 19.2
Details
Open access

Aquacarbonyl(ferrocenyldithiophosphonato-[kappa]2S,S')bis(triphenylphosphane-[kappa]P)ruthenium(II) dichloromethane monosolvate

aDepartment of Applied Chemistry, School of Petrochemical Engineering, Changzhou University, Jiangsu 213164, People's Republic of China, and bInstitute of Molecular Engineering and Applied Chemistry, Anhui University of Technology, Ma'anshan, Anhui 243002, People's Republic of China
Correspondence e-mail: zhangqf@ahut.edu.cn

The structure of the title complex, [FeRu(C5H5)(C5H4OPS2)(CO)(C18H15P)2(H2O)]·CH2Cl2, consists of one neutral [{FcP(O)S2}Ru(CO)(H2O)(PPh3)2] complex [Fc = Fe([eta]5-C5H4)([eta]5-C5H5)] and one CH2Cl2 solvent molecule. The geometry around the RuII atom is pseudo-octahedral, with two cis-binding PPh3 ligands and one chelating bidentate [Fc(O)PS2]2- ligand via two S atoms. The average Ru-S and Ru-P bond lengths are 2.434 (1) and 2.398 (1) Å, and the Ru-O and Ru-C bond lengths are 2.157 (3) and 1.826 (4) Å, respectively. In the crystal, pairs of O-H...O hydrogen bonds link adjacent molecules into dimers.

Related literature

For background to ferrocenyl-phosphonodithiolato complexes, see: Foreman et al. (1996[Foreman, M. R. St J., Slawin, A. M. Z. & Woollins, J. D. (1996). J. Chem. Soc. Dalton Trans. pp. 3653-3657.]); Gray et al. (2003[Gray, I. P., Milton, H. L., Slawin, A. M. Z. & Woollins, J. D. (2003). Dalton Trans. pp. 3450-3457.], 2004[Gray, I. P., Slawin, A. M. Z. & Woollins, J. D. (2004). Dalton Trans. pp. 2477-2486.]); Haiduc (2001[Haiduc, I. (2001). J. Organomet. Chem. 623, 29-42.]); Thomas et al. (2001[Thomas, C. M., Neels, A., Stoeckli-Evans, H. & Suss-Fink, G. (2001). J. Organomet. Chem. 633, 85-90.]); Van Zyl (2010[Van Zyl, W. E. (2010). Comments Inorg. Chem. 31, 13-45.]). For a related structure, see: Liu et al. (2005[Liu, X., Zhang, Q. F. & Leung, W. H. (2005). J. Coord. Chem. 58, 1299-1305.]); Wang et al. (2010[Wang, X. Y., Li, Y., Ma, Q. & Zhang, Q. F. (2010). Organometallics, 29, 2752-2760.]); Zhang et al. (2001[Zhang, Q. F., Chim, J. L. C., Lai, W., Wong, W. T. & Leung, W. H. (2001). Inorg. Chem. 40, 2470-2471.]). 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
  • [FeRu(C5H5)(C5H4OPS2)(CO)(C18H15P)2(H2O)]·CH2Cl2

  • Mr = 1052.67

  • Triclinic, [P \overline 1]

  • a = 12.1493 (9) Å

  • b = 14.2208 (11) Å

  • c = 14.7100 (11) Å

  • [alpha] = 101.811 (1)°

  • [beta] = 98.278 (1)°

  • [gamma] = 109.759 (1)°

  • V = 2277.7 (3) Å3

  • Z = 2

  • Mo K[alpha] radiation

  • [mu] = 1.01 mm-1

  • T = 296 K

  • 0.24 × 0.15 × 0.08 mm

Data collection
  • Bruker SMART APEXII CCD area-detector diffractometer

  • Absorption correction: multi-scan (SADABS; Sheldrick, 1997[Sheldrick, G. M. (1997). SADABS. University of Gottingen, Germany.]) Tmin = 0.794, Tmax = 0.924

  • 32262 measured reflections

  • 10536 independent reflections

  • 8221 reflections with I > 2[sigma](I)

  • Rint = 0.039

Refinement
  • R[F2 > 2[sigma](F2)] = 0.054

  • wR(F2) = 0.154

  • S = 1.05

  • 10536 reflections

  • 549 parameters

  • 2 restraints

  • H atoms treated by a mixture of independent and constrained refinement

  • [Delta][rho]max = 3.98 e Å-3

  • [Delta][rho]min = -0.67 e Å-3

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
O3-H1S...O1i 0.82 (1) 1.72 (2) 2.515 (4) 162 (4)
O3-H2S...O3i 0.82 (1) 2.52 (6) 2.980 (6) 117 (5)
Symmetry code: (i) -x+1, -y+2, -z+1.

Data collection: APEX2 (Bruker, 2005[Bruker (2005). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 2005[Bruker (2005). 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: SHELXTL (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); software used to prepare material for publication: SHELXTL.


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: DS2231 ).


Acknowledgements

This project was supported by the Natural Science Foundation of China (20771003).

References

Allen, F. H. (2002). Acta Cryst. B58, 380-388.  [ISI] [CrossRef] [details]
Bruker (2005). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.
Foreman, M. R. St J., Slawin, A. M. Z. & Woollins, J. D. (1996). J. Chem. Soc. Dalton Trans. pp. 3653-3657.  [CrossRef]
Gray, I. P., Milton, H. L., Slawin, A. M. Z. & Woollins, J. D. (2003). Dalton Trans. pp. 3450-3457.  [CSD] [CrossRef]
Gray, I. P., Slawin, A. M. Z. & Woollins, J. D. (2004). Dalton Trans. pp. 2477-2486.  [CSD] [CrossRef]
Haiduc, I. (2001). J. Organomet. Chem. 623, 29-42.  [CrossRef] [ChemPort]
Liu, X., Zhang, Q. F. & Leung, W. H. (2005). J. Coord. Chem. 58, 1299-1305.  [ISI] [CSD] [CrossRef] [ChemPort]
Sheldrick, G. M. (1997). SADABS. University of Gottingen, Germany.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [ChemPort] [details]
Thomas, C. M., Neels, A., Stoeckli-Evans, H. & Suss-Fink, G. (2001). J. Organomet. Chem. 633, 85-90.  [CrossRef] [ChemPort]
Van Zyl, W. E. (2010). Comments Inorg. Chem. 31, 13-45.  [ISI] [CrossRef] [ChemPort]
Wang, X. Y., Li, Y., Ma, Q. & Zhang, Q. F. (2010). Organometallics, 29, 2752-2760.  [CrossRef] [ChemPort]
Zhang, Q. F., Chim, J. L. C., Lai, W., Wong, W. T. & Leung, W. H. (2001). Inorg. Chem. 40, 2470-2471.  [CrossRef] [PubMed] [ChemPort]


Acta Cryst (2013). E69, m343  [ doi:10.1107/S1600536813014311 ]

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