trans-Bis[1,2-bis­(diphenyl­phosphan­yl)ethane]­chlorido(ethyn­yl)ruthenium(II)

Trujillo, A.; Fuentealba, M.; Arratia-Perez, R.; Howard, J.A.K.

doi:10.1107/S1600536812044558

Volume 68
Part 12
Page m1445
December 2012

Received 29 September 2012
Accepted 28 October 2012
Online 3 November 2012

Key indicators
Single-crystal X-ray study
T = 120 K
Mean (C-C) = 0.003 Å
Disorder in main residue
R = 0.030
wR = 0.072
Data-to-parameter ratio = 22.1
Details

trans-Bis[1,2-bis(diphenylphosphanyl)ethane]chlorido(ethynyl)ruthenium(II)

Alexander Trujillo,^a ^* Mauricio Fuentealba,^b Ramiro Arratia-Perez ^a and Judith A. K. Howard ^c

^aDepartamento de Ciencias Quimicas, Facultad de Ciencias Exactas, Universidad Andres Bello, Avenida Republica 275, Santiago, Chile,^bInstituto de Química, Facultad de Ciencias, Pontificia Universidad Católica de Valparaíso, Avenida Universidad 330, Curauma, Valparaíso, Chile, and ^cDepartment of Chemistry, University of Durham, South Road, Durham DH1 3LE, England
Correspondence e-mail: al.trujillo@uandresbello.edu

The molecular structure of the title compound, trans-[Cu(C₂H)Cl(C₂₆H₂₄P₂)₂], consists of an Ru^II cation, located on an inversion centre, in an octahedral environment defined by two chelating phosphines, one acetylide and one chloride ligand. The -C [triple bond] CH and the chlorine ligands are disordered over two equivalent positions (0.5 occupancy each). The coordination geometry is distorted octahedral, with the -CCH fragment and the Cl ligand in trans positions. The four P atoms occupy the equatorial plane of the octahedron and the chloride and acetylide ligands the axial positions.

Related literature

For details of electronic communication, see: Hu et al. (2005) and for molecular electronics, see: Gauthier et al. (2008). For the chemistry of the trans-RuCl(C [triple bond] CH)(dppe)₂, [dppe = 1,2-bis(diphenylphosphanyl)ethane] complex, see: Fox et al. (2009). For related structures, see: Faulkner et al. (1994); Zhu et al. (1999); Younus et al. (1999).

Experimental

Crystal data

[Cu(C₂H)Cl(C₂₆H₂₄P₂)₂]
M_r = 958.33
Monoclinic, P 2₁ /n
a = 10.92406 (18) Å
b = 16.0826 (2) Å
c = 13.2228 (2) Å
= 105.2553 (17)°
V = 2241.22 (6) Å³
Z = 2
Mo K radiation
= 0.59 mm^-1
T = 120 K
0.41 × 0.35 × 0.20 mm

Data collection

Agilent Xcalibur (Sapphire3, Gemini ultra) diffractometer
Absorption correction: multi-scan (CrysAlis PRO; Agilent, 2011) T_min = 0.912, T_max = 1.000
32289 measured reflections
6470 independent reflections
5653 reflections with I > 2(I)
R_int = 0.040

Refinement

R[F² > 2(F²)] = 0.030
wR(F²) = 0.072
S = 1.09
6470 reflections
293 parameters
H-atom parameters constrained
_max = 0.49 e Å^-3
_min = -0.48 e Å^-3

Data collection: CrysAlis PRO (Agilent, 2011); cell refinement: CrysAlis PRO; data reduction: CrysAlis PRO; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: OLEX2 (Dolomanov et al., 2009).; software used to prepare material for publication: OLEX2.

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: BG2483 ).

Acknowledgements

This work was supported by FONDECYT through grant No. 3110066. MF thanks the Becaschile Programme (Chile) for support through a postdoctoral fellowship.

References

Agilent (2011). CrysAlis PRO. Agilent Technologies UK Ltd, Yarnton, England.
Dolomanov, O. V., Bourhis, L. J., Gildea, R. J., Howard, J. A. K. & Puschmann, H. (2009). J. Appl. Cryst. 42, 339-341.
Faulkner, C. W., Ingham, S. L., Khan, M. S., Lewis, J., Long, N. J. & Raithby, P. R. (1994). J. Organomet. Chem. 482, 139-145.
Fox, M. A., Harris, J. E., Heider, S., Pérez-Gregorio, V., Zakrzewska, M. E., Farmer, J. D., Yufit, D. S., Howard, J. A. K. & Low, P. J. (2009). J. Organomet. Chem. 694, 2350-2358.
Gauthier, N., Olivier, C., Rigaut, S., Touchard, D., Roisnel, T., Humphrey, M. G. & Paul, F. (2008). Organometallics, 27, 1063-1072.
Hu, Q. Y., Lu, W. X., Tang, H. D., Sung, H. H. Y., Wen, T. B., Williams, I. D., Wong, G. K. L., Lin, Z. & Jia, G. (2005). Organometallics, 24, 3966-3973.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
Younus, M., Long, N. J., Raithby, P. R., Lewis, J., Page, N. A., White, A. J. P., Williams, D. J., Colbert, M. C. B., Hodge, A. J. & Khan, M. S. (1999). J. Organomet. Chem. 578, 198-209.
Zhu, Y., Millet, D. B., Wolf, M. O. & Rettig, S. J. (1999). Organometallics, 18, 1930-1938.

metal-organic compounds