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Volume 69 
Part 3 
Pages m145-m146  
March 2013  

Received 15 January 2013
Accepted 1 February 2013
Online 9 February 2013

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Key indicators
Single-crystal X-ray study
T = 150 K
Mean [sigma](C-C) = 0.003 Å
R = 0.024
wR = 0.063
Data-to-parameter ratio = 15.5
Details
Open access

Di-[mu]-acetato-[kappa]4O:O'-[mu]-oxido-[kappa]2O:O'-bis[cis-(2,2'-bipyridine-[kappa]2N,N')-trans-(pyridine-[kappa]N)ruthenium(III)] bis(hexafluoridophosphate)

Yohei Ido,a Takashi Fujiharab* and Akira Nagasawaa

aDepartment of Chemistry, Graduate School of Science and Engineering, Saitama University, Shimo-Okubo 255, Sakura-ku, Saitama 338-8570, Japan, and bComprehensive Analysis Center for Science, Saitama University, Shimo-Okubo 255, Sakura-ku, Saitama 338-8570, Japan
Correspondence e-mail: fuji@chem.saitama-u.ac.jp

The hemerythrin-type dinuclear title complex, [Ru2(CH3COO)2O(C10H8N2)2(C5H5N)2](PF6)2, consists of two RuIII ions with a six-coordinate octahedral geometry, bridged by an oxide and two acetate ligands, with a bidentate 2,2'-bipyridine ligand and a pyridine ligand bonding at terminal positions. The Ru-Ru distance and Ru-O-Ru angle are 3.2838 (3) Å and 121.79 (7)°, respectively, and the average Ru-N(pyridine) bond length is 2.164 (8) Å. Several C-H...F, C-H...O and C-H...N interactions generate a three-dimensional network in the crystal structure. [pi]-[pi] stacking interactions [centroid-centroid distance = 3.6389 (3) Å] between inversion-related 2,2'-bipyridine rings are also observed.

Related literature

For related structures, see: Zhang et al. (2011[Zhang, H. X., Tsuge, K., Sasaki, Y., Osawa, M. & Abe, M. (2011). Eur. J. Inorg. Chem. 33, 5132-5143.]); Sudha & Chakravarty (1996[Sudha, C. & Chakravarty, A. R. (1996). J. Chem. Soc. Dalton Trans. pp. 3289-3292.]). For background to hemerythrin-type diruthenium(III) complexes, see: Abe et al. (2002[Abe, M., Mitani, A., Ohsawa, A., Herai, M., Tanaka, M. & Sasaki, Y. (2002). Inorg. Chim. Acta, 331, 158-167.]); Dean (1985[Dean, J. A. (1985). Lange's Handbook of Chemistry. New York: McGraw-Hill.]); Tembe & Ganeshpure (1999[Tembe, G. L. & Ganeshpure, P. A. (1999). React. Kinet. Catal. Lett. 67, 83-88.]); Fukumoto et al. (1998[Fukumoto, T., Kikuchi, A., Umakoshi, K. & Sasaki, Y. (1998). Inorg. Chim. Acta, 283, 151-159.]); Inomata et al. (1999[Inomata, T., Umakoshi, K. & Sasaki, Y. (1999). Electrochemistry, 67, 427-430.]); Sasaki (1995[Sasaki, Y. (1995). J. Mol. Liq., 65/66, 253-260.]); Sasaki et al. (1991[Sasaki, Y., Suzuki, M., Nagasawa, A., Tokiwa, A., Ebihara, M., Yamaguchi, T., Kabuto, C., Ochi, T. & Ito, T. (1991). Inorg. Chem. 30, 1632-1635.]); Valli et al. (1997[Valli, M., Miyata, S., Wakita, H., Yamaguchi, T., Kikuchi, A., Umakoshi, K., Imamura, T. & Sasaki, Y. (1997). Inorg. Chem., 36, 4622-4626.]). For the synthesis, see: Sasaki et al. (1991[Sasaki, Y., Suzuki, M., Nagasawa, A., Tokiwa, A., Ebihara, M., Yamaguchi, T., Kabuto, C., Ochi, T. & Ito, T. (1991). Inorg. Chem. 30, 1632-1635.]); Ido et al. (2013[Ido, Y., Fujihara, T. & Nagasawa, A. (2013). Eur. J. Inorg. Chem. Submitted. ]).

[Scheme 1]

Experimental

Crystal data

  • [Ru2(C2H3O2)2O(C10H8N2)2(C5H5N)2](PF6)2

  • Mr = 1096.74

  • Monoclinic, P 21 /n

  • a = 12.3330 (9) Å

  • b = 18.2182 (14) Å

  • c = 18.1490 (14) Å

  • [beta] = 97.253 (1)°

  • V = 4045.2 (5) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 0.93 mm-1

  • T = 150 K

  • 0.16 × 0.14 × 0.08 mm
Data collection

  • Bruker APEXII CCD area-detector diffractometer

  • Absorption correction: multi-scan (SADABS; Bruker, 2008[Bruker (2008). APEX2, SADABS, SAINT, XCIF and XPREP. Bruker AXS Inc., Madison, Wisconsin, USA.]) Tmin = 0.865, Tmax = 0.929

  • 21514 measured reflections

  • 8544 independent reflections

  • 7343 reflections with I > 2[sigma](I)

  • Rint = 0.039
Refinement

  • R[F2 > 2[sigma](F2)] = 0.024

  • wR(F2) = 0.063

  • S = 1.02

  • 8544 reflections

  • 552 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 0.47 e Å-3

  • [Delta][rho]min = -0.69 e Å-3

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
C9-H9...F2 0.95 2.53 3.227 (3) 130
C10-H10...F5 0.95 2.48 3.362 (3) 154
C10-H10...O4 0.95 2.59 3.105 (3) 115
C12-H12...F6i 0.95 2.42 3.270 (3) 149
C15-H15...O4 0.95 2.43 2.904 (3) 110
C17-H17A...F1ii 0.98 2.34 3.240 (3) 153
C18-H18...F12 0.95 2.37 3.090 (3) 132
C18-H18...O3 0.95 2.52 3.096 (3) 119
C24-H24...O1iii 0.95 2.56 3.405 (3) 149
C27-H27...F5 0.95 2.32 3.101 (3) 139
C28-H28...O3 0.95 2.23 2.855 (3) 122
C32-H32...N5 0.95 2.49 3.080 (3) 121
C34-H34C...F7iv 0.98 2.52 3.455 (3) 160
Symmetry codes: (i) x+1, y, z; (ii) [x+{\script{1\over 2}}, -y+{\script{1\over 2}}, z-{\script{1\over 2}}]; (iii) -x+1, -y, -z+2; (iv) [-x+{\script{3\over 2}}, y+{\script{1\over 2}}, -z+{\script{3\over 2}}].

Data collection: APEX2 (Bruker, 2008[Bruker (2008). APEX2, SADABS, SAINT, XCIF and XPREP. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 2008[Bruker (2008). APEX2, SADABS, SAINT, XCIF and XPREP. Bruker AXS Inc., Madison, Wisconsin, USA.]); data reduction: SAINT and XPREP (Bruker, 2008[Bruker (2008). APEX2, SADABS, SAINT, XCIF and XPREP. Bruker AXS Inc., Madison, Wisconsin, USA.]); 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: ORTEP-3 for Windows (Farrugia, 2012[Farrugia, L. J. (2012). J. Appl. Cryst. 45, 849-854.]); software used to prepare material for publication: XCIF (Bruker, 2008[Bruker (2008). APEX2, SADABS, SAINT, XCIF and XPREP. Bruker AXS Inc., Madison, Wisconsin, USA.]).

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: GG2109 ).

Acknowledgements

This work was supported by the programs of the Grants-in-Aid for Scientific Research (to TF, No. 23510115) from the Japan Society for the Promotion of Science.

References

Abe, M., Mitani, A., Ohsawa, A., Herai, M., Tanaka, M. & Sasaki, Y. (2002). Inorg. Chim. Acta, 331, 158-167.  [ISI] [CrossRef] [ChemPort]
Bruker (2008). APEX2, SADABS, SAINT, XCIF and XPREP. Bruker AXS Inc., Madison, Wisconsin, USA.
Dean, J. A. (1985). Lange's Handbook of Chemistry. New York: McGraw-Hill.
Farrugia, L. J. (2012). J. Appl. Cryst. 45, 849-854.  [ISI] [CrossRef] [ChemPort] [details]
Fukumoto, T., Kikuchi, A., Umakoshi, K. & Sasaki, Y. (1998). Inorg. Chim. Acta, 283, 151-159.  [ISI] [CrossRef] [ChemPort]
Ido, Y., Fujihara, T. & Nagasawa, A. (2013). Eur. J. Inorg. Chem. Submitted.
Inomata, T., Umakoshi, K. & Sasaki, Y. (1999). Electrochemistry, 67, 427-430.  [ChemPort]
Sasaki, Y. (1995). J. Mol. Liq., 65/66, 253-260.  [CrossRef] [ChemPort] [ISI]
Sasaki, Y., Suzuki, M., Nagasawa, A., Tokiwa, A., Ebihara, M., Yamaguchi, T., Kabuto, C., Ochi, T. & Ito, T. (1991). Inorg. Chem. 30, 1632-1635.  [CrossRef] [ISI]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Sudha, C. & Chakravarty, A. R. (1996). J. Chem. Soc. Dalton Trans. pp. 3289-3292.  [CrossRef]
Tembe, G. L. & Ganeshpure, P. A. (1999). React. Kinet. Catal. Lett. 67, 83-88.  [ISI] [CrossRef] [ChemPort]
Valli, M., Miyata, S., Wakita, H., Yamaguchi, T., Kikuchi, A., Umakoshi, K., Imamura, T. & Sasaki, Y. (1997). Inorg. Chem., 36, 4622-4626.  [CrossRef] [PubMed] [ChemPort]
Zhang, H. X., Tsuge, K., Sasaki, Y., Osawa, M. & Abe, M. (2011). Eur. J. Inorg. Chem. 33, 5132-5143.  [ISI] [CSD] [CrossRef]

Acta Cryst (2013). E69, m145-m146   [ doi:10.1107/S1600536813003334 ]

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