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Volume 69 
Part 11 
Page m607  
November 2013  

Received 4 October 2013
Accepted 14 October 2013
Online 19 October 2013

Key indicators
Single-crystal X-ray study
T = 292 K
Mean [sigma](C-C) = 0.006 Å
R = 0.057
wR = 0.140
Data-to-parameter ratio = 18.5
Details
Open access

[1,1'-Bis(di­phenyl­phosphan­yl)cobalto­cenium-[kappa]2P,P']([eta]5-cyclo­penta­dien­yl){2-[4-(4-ethynylphen­yl)phen­yl]ethynyl-[kappa]C}ruthenium(II) hexa­fluorido­phosphate

aCollege of Chemistry and Chemical Engineering, Yunnan Normal University, Kunming 650500, People's Republic of China, and bCollege of Resources and Environment, Yuxi Normal University, Kunming 653100, People's Republic of China
Correspondence e-mail: lzokmail@163.com

In the title compound, [CoRu(C5H5)(C16H9)(C17H14P)2]PF6, the RuII atom is coordinated by a cyclo­penta­dienyl ring in an [eta]5-mode, one C atom from a 4,4'-diethynyl-1,1'-biphenyl ligand and two P atoms from a chelating 1,1'-bis­(di­phenyl­phosphan­yl)cobaltocenium ligand, giving a three-legged piano-stool geometry. In the crystal, weak C-H...F hydrogen bonds link the complex cations and hexa­fluorido­phosphate anions into a three-dimensional supra­molecular structure.

Related literature

For the synthesis of related compounds, see: Blackmore et al. (1971[Blackmore, T., Bruce, M. I. & Stone, F. C. (1971). J. Chem. Soc. 14, 2376-2382.]); Oshima & Suzuki (1984[Oshima, N. & Suzuki, H. (1984). Chem. Lett. 13, 1161-1164.]); Wu et al. (2006[Wu, X.-H., Ren, Y., Yu, G.-A. & Liu, S.-H. (2006). Acta Cryst. E62, m426-m428.]). For the properties of related compounds, see: Domazetis et al. (1980[Domazetis, G., Tarpey, B., Dolphin, D. & James, B. R. (1980). J. Chem. Soc. Chem. Commun. pp. 939-940.]); Gaughan et al. (1972[Gaughan, A. P., Bownan, K. S. & Dori, Z. (1972). Inorg. Chem. 11, 601-608.]); Nombel et al. (1999[Nombel, P., Lugan, N., Donnadieu, B. & Lavigne, G. (1999). Organometallics, 18, 187-196.]); Ziolo & Dori (1968[Ziolo, R. F. & Dori, Z. (1968). J. Am. Chem. Soc. 90, 6560-6561.]). For related structures, see: Bruce et al. (2003[Bruce, M. I., Ellis, B. G., Low, P. J., Skelton, B. W. & White, A. H. (2003). Organometallics, 22, 3184-3198.]); Hembre et al. (1996[Hembre, R. T., McQueen, J. A. & Day, V. W. (1996). J. Am. Chem. Soc. 118, 798-803.]).

[Scheme 1]

Experimental

Crystal data
  • [CoRu(C5H5)(C16H9)(C17H14P)2]PF6

  • Mr = 1069.80

  • Monoclinic, P 21 /c

  • a = 14.481 (5) Å

  • b = 22.052 (7) Å

  • c = 14.482 (5) Å

  • [beta] = 92.937 (2)°

  • V = 4619 (3) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 0.85 mm-1

  • T = 292 K

  • 0.30 × 0.20 × 0.20 mm

Data collection
  • Bruker APEX CCD diffractometer

  • Absorption correction: multi-scan (SADABS; Sheldrick, 1996[Sheldrick, G. M. (1996). SADABS. University of Göttingen, Germany.]) Tmin = 0.784, Tmax = 0.848

  • 53044 measured reflections

  • 10985 independent reflections

  • 7027 reflections with I > 2[sigma](I)

  • Rint = 0.124

Refinement
  • R[F2 > 2[sigma](F2)] = 0.057

  • wR(F2) = 0.140

  • S = 0.97

  • 10985 reflections

  • 595 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 0.83 e Å-3

  • [Delta][rho]min = -0.82 e Å-3

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
C2-H2...F5i 0.98 2.43 3.189 (6) 134
C3-H3...F6ii 0.98 2.54 3.383 (6) 144
C7-H7...F4i 0.98 2.47 3.383 (7) 155
C9-H9...F2ii 0.98 2.32 2.993 (6) 125
Symmetry codes: (i) [x, -y+{\script{1\over 2}}, z+{\script{1\over 2}}]; (ii) [-x+1, y-{\script{1\over 2}}, -z+{\script{3\over 2}}].

Data collection: SMART (Bruker, 2007[Bruker (2007). SMART and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 2007[Bruker (2007). SMART 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 (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: HY2638 ).


Acknowledgements

This work was supported by the Joint Specialized Research Fund for the Doctoral Program of Higher Education (grant No. 20125303110002).

References

Blackmore, T., Bruce, M. I. & Stone, F. C. (1971). J. Chem. Soc. 14, 2376-2382.
Bruce, M. I., Ellis, B. G., Low, P. J., Skelton, B. W. & White, A. H. (2003). Organometallics, 22, 3184-3198.  [CSD] [CrossRef] [ChemPort]
Bruker (2007). SMART and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.
Domazetis, G., Tarpey, B., Dolphin, D. & James, B. R. (1980). J. Chem. Soc. Chem. Commun. pp. 939-940.  [CrossRef] [Web of Science]
Gaughan, A. P., Bownan, K. S. & Dori, Z. (1972). Inorg. Chem. 11, 601-608.  [CSD] [CrossRef] [ChemPort] [Web of Science]
Hembre, R. T., McQueen, J. A. & Day, V. W. (1996). J. Am. Chem. Soc. 118, 798-803.  [CSD] [CrossRef] [ChemPort] [Web of Science]
Nombel, P., Lugan, N., Donnadieu, B. & Lavigne, G. (1999). Organometallics, 18, 187-196.  [CSD] [CrossRef] [ChemPort]
Oshima, N. & Suzuki, H. (1984). Chem. Lett. 13, 1161-1164.  [CrossRef] [Web of Science]
Sheldrick, G. M. (1996). SADABS. University of Göttingen, Germany.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [ChemPort] [IUCr Journals]
Wu, X.-H., Ren, Y., Yu, G.-A. & Liu, S.-H. (2006). Acta Cryst. E62, m426-m428.  [CSD] [CrossRef] [ChemPort] [IUCr Journals]
Ziolo, R. F. & Dori, Z. (1968). J. Am. Chem. Soc. 90, 6560-6561.  [CrossRef] [ChemPort] [Web of Science]


Acta Cryst (2013). E69, m607  [ doi:10.1107/S1600536813028195 ]

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