electronic reprint Acta Crystallographica Section E
Structure Reports Online ISSN 1600-5368
Editors: W. Clegg and D. G. Watson
Chlorido(6,7-dimethyl-2,3-dipyridin-2-ylquinoxaline- 2N,N )( 6 1,2,4,5-tetramethylbenzene)ruthenium(II) hexafluorophosphate acetonitrile solvate ¼
Bruno Therrien and Georg Suss-Fink ¨
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Acta Cryst. (2007). E63, m1627
Therrien and Suss-Fink ¨
¯
[RuCl(C10 H14 )(C20 H16 N4 )]PF6 C2 H3 N
metal-organic compounds Acta Crystallographica Section E
Experimental
Structure Reports Online
Crystal data
ISSN 1600-5368
Chlorido(6,7-dimethyl-2,3-dipyridin-2-ylquinoxaline-j2N,N0 )(g6-1,2,4,5-tetramethylbenzene)ruthenium(II) hexafluorophosphate acetonitrile solvate Bruno Therrien and Georg Su ¨ss-Fink* Institut de Chimie, Universite´ de Neuchaˆtel, Case postale 158, CH-2009 Neuchaˆtel, Switzerland Correspondence e-mail:
[email protected] Received 2 May 2007; accepted 3 May 2007 ˚; Key indicators: single-crystal X-ray study; T = 173 K; mean (C–C) = 0.005 A R factor = 0.026; wR factor = 0.064; data-to-parameter ratio = 14.6.
In the title salt, [RuCl(C10H14)(C20H16N4)]PF6CH3CN, the coordination of one pyridyl ring and of one N atom of the quinoxaline unit to ruthenium imposes considerable distortion on the 6,7-dimethyl-2,3-dipyridin-2-ylquinoxaline ligand. Indeed, the pyridyl ring and the plane of the quinoxaline unit become almost coplanar.
[RuCl(C10H14)(C20H16N4)]PF6C2H3N Mr = 769.12 Monoclinic, Cc ˚ a = 13.1725 (11) A ˚ b = 25.6651 (17) A ˚ c = 10.1222 (9) A
= 104.140 (10) ˚3 V = 3318.4 (5) A Z=4 Mo K radiation = 0.67 mm1 T = 173 (2) K 0.34 0.22 0.19 mm
Data collection Stoe IPDS diffractometer Absorption correction: none 13015 measured reflections
6142 independent reflections 5710 reflections with I > 2(I) Rint = 0.034
Refinement R[F 2 > 2(F 2)] = 0.026 wR(F 2) = 0.064 S = 1.01 6142 reflections 422 parameters 2 restraints
H-atom parameters constrained ˚ 3 max = 0.51 e A ˚ 3 min = 0.27 e A Absolute structure: Flack (1983), 2912 Friedel pairs Flack parameter: 0.01 (2)
Data collection: EXPOSE (Stoe, 2000); cell refinement: CELL (Stoe, 2000); data reduction: INTEGRATE (Stoe, 2000); program(s) used to solve structure: SHELXS97 (Sheldrick, 2001); program(s) used to refine structure: SHELXL97 (Sheldrick, 2001); molecular graphics: ORTEP-3 (Farrugia, 1997); software used to prepare material for publication: SHELXL97.
This work was supported by the Swiss National Science Foundation.
Related literature The non-coordinated dpqMe2 ligand crystallizes in the centrosymmetric space group P21/a (Wozniak et al., 1993). Other arene–ruthenium and osmium complexes with chelating quinoxaline pyridyl derivatives have been synthesized and characterized by X-ray structure analysis (Baumann et al., 1998; Scott et al., 1999; Lalrempuia & Kollipara, 2003; Therrien et al., 2007). For related literature, see: Berg et al. (2002); Canivet et al. (2005); Singh et al. (2002).
Acta Cryst. (2007). E63, m1627
Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: BT2357).
References Baumann, F., Stange, A. & Kaim, W. (1998). Inorg. Chem. Commun. 1, 305– 308. Berg, D. J., Boncella, J. M. & Andersen, R. A. (2002). Organometallics, 21, 4622–4631. Canivet, J., Karmazin-Brelot, L. & Su¨ss-Fink, G. (2005). J. Organomet. Chem. 690, 3202–3211. Farrugia, L. J. (1997). J. Appl. Cryst. 30, 565. Flack, H. D. (1983). Acta Cryst. A39, 876–881. Lalrempuia, R. & Kollipara, M. R. (2003). Polyhedron, 22, 3155–3160. Scott, S. M., Gordon, K. C. & Burrell, A. K. (1999). J. Chem. Soc. Dalton Trans. pp. 2669–2673. Sheldrick, G. M. (2001). SHELXTL. Version 5.0. Bruker AXS Inc., Madison, Wisconsin, USA. Singh, A., Singh, N. & Pandey, D. S. (2002). J. Organomet. Chem. 642, 48–57. Stoe (2000). EXPOSE, CELL and INTEGRATE. Stoe & Cie, Darmstadt, Germany. Therrien, B., Su¨ss-Fink, G., Govindaswamy, P. & Saı¨d-Mohamed, C. (2007). Polyhedron. In the press. Wozniak, K., Krygowski, T. M., Grech, E., Kolodziejski, W. & Klinowski, J. (1993). J. Phys. Chem. 97, 1862–1867.
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