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Volume 69 
Part 2 
Pages m75-m76  
February 2013  

Received 7 December 2012
Accepted 28 December 2012
Online 9 January 2013

Key indicators
Single-crystal X-ray study
T = 298 K
Mean [sigma](C-C) = 0.011 Å
R = 0.053
wR = 0.151
Data-to-parameter ratio = 13.5
Details
Open access

cis-Bis(1,10-phenanthroline-[kappa]2N,N')bis(pyridin-4-amine-[kappa]N1)ruthenium(II) bis(hexafluoridophosphate)1

aUniversidade Federal de São Carlos, Departamento de Química, CP 676, CEP 13565-905, São Carlos/SP, Brazil,bUniversidade Federal de Goias, Instituto de Química, Campus Samambaia, CP 131, CEP 74001-970, Goiania/GO, Brazil,cUniversidade Federal de Alagoas, Centro de Ciências Exatas e Naturais, Departamento de Química, CEP 57072-970, Maceió/AL, Brazil, and dUniversidade de São Paulo, Instituto de Física de Sao Carlos, CP 369, CEP 13560-970, São Carlos/SP, Brazil
Correspondence e-mail: rosem@ufscar.br

In the title complex, [Ru(C12H8N2)2(C5H6N2)2](PF6)2, the RuII atom is bonded to two [alpha]-diimine ligands, viz. 1,10-phenanthroline (phen), in a cis configuration, in addition with with two 4-aminopyridine (4Apy) ligands, resulting in a distorted octahedral coordination geometry. N-H...F hydrogen-bonding interactions play an important role in the crystal assembly: 21-screw-axis-related complex molecules and PF6- counter-ions alternate in helical chains formed along the a axis by means of these contacts. N-H...[pi] contacts (H...centroid = 3.45 Å) are responsible for cross-linking between the helical chains along [001].

Related literature

For compounds with similar properties, see Bonneson et al. (1983[Bonneson, P. J., Walsh, L., Pennington, W. T., Cordes, A. W. & Durham, B. (1983). Inorg. Chem. 22, 1761-1765.]); Salassa et al. (2009[Salassa, L., Garino, C., Salassa, G., Nervi, C., Gobetto, R., Lamberti, C., Gianolio, D., Bizzarri, R. & Sadler, P. J. (2009). Inorg. Chem. 48, 1469-1481.]). For the use of 4Apy, see Sinha & Shrivastava (2012[Sinha, S. K. & Shrivastava, S. K. (2012). Med. Chem. Res. 21, 4395-4402.]). For similar structures, see: Stoyanov et al. (2002[Stoyanov, S. R., Villegas, J. M. & Rillema, D. P. (2002). Inorg. Chem. 41, 2941-2945.]).

[Scheme 1]

Experimental

Crystal data
  • [Ru(C12H8N2)2(C5H6N2)2](PF6)2

  • Mr = 939.65

  • Orthorhombic, P 21 c n

  • a = 13.0943 (3) Å

  • b = 14.5730 (3) Å

  • c = 19.9366 (5) Å

  • V = 3804.37 (15) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 0.59 mm-1

  • T = 298 K

  • 0.40 × 0.20 × 0.10 mm

Data collection
  • Nonius KappaCCD diffractometer

  • Absorption correction: Gaussian (Coppens et al., 1965[Coppens, P., Leiserowitz, L. & Rabinovich, D. (1965). Acta Cryst. 18, 1035-1038.]) Tmin = 0.699, Tmax = 0.938

  • 29253 measured reflections

  • 6964 independent reflections

  • 5348 reflections with I > 2[sigma](I)

  • Rint = 0.066

Refinement
  • R[F2 > 2[sigma](F2)] = 0.053

  • wR(F2) = 0.151

  • S = 1.04

  • 6964 reflections

  • 514 parameters

  • 1 restraint

  • H-atom parameters constrained

  • [Delta][rho]max = 0.39 e Å-3

  • [Delta][rho]min = -0.48 e Å-3

  • Absolute structure: Flack (1983[Flack, H. D. (1983). Acta Cryst. A39, 876-881.]), 3264 Friedel pairs

  • Flack parameter: 0.25 (6)

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
N4-H4A...F5 0.86 2.45 3.231 (12) 151
N4A-H4A1...F1Ai 0.86 2.23 3.063 (12) 163
N4A-H4A2...F3Aii 0.86 2.34 3.18 (2) 165
Symmetry codes: (i) [x, -y+{\script{3\over 2}}, z-{\script{1\over 2}}]; (ii) [x+{\script{1\over 2}}, y+{\script{1\over 2}}, -z+{\script{3\over 2}}].

Data collection: COLLECT (Nonius, 2000[Nonius (2000). COLLECT. Nonius BV, Delft, The Netherlands.]); cell refinement: SCALEPACK (Otwinowski & Minor, 1997[Otwinowski, Z. & Minor, W. (1997). Methods in Enzymology, Vol. 276, Macromolecular Crystallography, Part A, edited by C. W. Carter Jr & R. M. Sweet, pp. 307-326. New York: Academic Press.]); data reduction: DENZO (Otwinowski & Minor, 1997[Otwinowski, Z. & Minor, W. (1997). Methods in Enzymology, Vol. 276, Macromolecular Crystallography, Part A, edited by C. W. Carter Jr & R. M. Sweet, pp. 307-326. New York: Academic Press.]) and SCALEPACK; 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.] and Mercury (Macrae et al., 2006[Macrae, C. F., Edgington, P. R., McCabe, P., Pidcock, E., Shields, G. P., Taylor, R., Towler, M. & van de Streek, J. (2006). J. Appl. Cryst. 39, 453-457.]); 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: BG2495 ).


Acknowledgements

The authors wish to thank FAPESP (Proc. 2009/08218-0; 2008/52859-7), CNPq (Universal 470890/2010-0) and CAPES for the grants and fellowships given to this research.

References

Bonneson, P. J., Walsh, L., Pennington, W. T., Cordes, A. W. & Durham, B. (1983). Inorg. Chem. 22, 1761-1765.  [CrossRef] [ChemPort] [ISI]
Coppens, P., Leiserowitz, L. & Rabinovich, D. (1965). Acta Cryst. 18, 1035-1038.  [CrossRef] [ChemPort] [details]
Farrugia, L. J. (2012). J. Appl. Cryst. 45, 849-854.  [ISI] [CrossRef] [ChemPort] [details]
Flack, H. D. (1983). Acta Cryst. A39, 876-881.  [CrossRef] [details]
Macrae, C. F., Edgington, P. R., McCabe, P., Pidcock, E., Shields, G. P., Taylor, R., Towler, M. & van de Streek, J. (2006). J. Appl. Cryst. 39, 453-457.  [ISI] [CrossRef] [ChemPort] [details]
Nonius (2000). COLLECT. Nonius BV, Delft, The Netherlands.
Otwinowski, Z. & Minor, W. (1997). Methods in Enzymology, Vol. 276, Macromolecular Crystallography, Part A, edited by C. W. Carter Jr & R. M. Sweet, pp. 307-326. New York: Academic Press.
Salassa, L., Garino, C., Salassa, G., Nervi, C., Gobetto, R., Lamberti, C., Gianolio, D., Bizzarri, R. & Sadler, P. J. (2009). Inorg. Chem. 48, 1469-1481.  [ISI] [CrossRef] [PubMed] [ChemPort]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Sinha, S. K. & Shrivastava, S. K. (2012). Med. Chem. Res. 21, 4395-4402.  [ISI] [CrossRef] [ChemPort]
Stoyanov, S. R., Villegas, J. M. & Rillema, D. P. (2002). Inorg. Chem. 41, 2941-2945.  [ISI] [CrossRef] [PubMed] [ChemPort]


Acta Cryst (2013). E69, m75-m76   [ doi:10.1107/S1600536812051999 ]

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