Bis(μ-4-phenyl­pyridine N-oxide-κ2O:O)bis­[bis­(1,1,1,5,5,5-hexa­fluoro­pentane-2,4-dionato)copper(II)]

Ramos, A.I.; Fernandes, J.A.; Silva, P.; Ribeiro-Claro, P.J.A.; Braga, S.S.; Almeida Paz, F.A.

doi:10.1107/S1600536810022567

Volume 66
Part 7
Pages m824-m825
July 2010

Received 9 June 2010
Accepted 12 June 2010
Online 23 June 2010

Key indicators
Single-crystal X-ray study
T = 150 K
Mean (C-C) = 0.004 Å
Disorder in main residue
R = 0.048
wR = 0.139
Data-to-parameter ratio = 16.2
Details

Bis(-4-phenylpyridine N-oxide-²O:O)bis[bis(1,1,1,5,5,5-hexafluoropentane-2,4-dionato)copper(II)]

Ana I. Ramos,^a José A. Fernandes,^a Patrícia Silva,^a Paulo J. A. Ribeiro-Claro,^a Susana S. Braga ^a and Filipe A. Almeida Paz ^a ^*

^aDepartment of Chemistry, CICECO, University of Aveiro, 3810-193 Aveiro, Portugal
Correspondence e-mail: filipe.paz@ua.pt

The asymmetric unit of the title compound, [Cu₂(C₅HF₆O₂)₄(C₁₁H₉NO)₂], contains one half of the centrosymmetric dinuclear complex. The coordination geometry of the Cu^II atom is octahedral, exhibiting a typical Jahn-Teller distortion. One trifluoromethyl group is rotationally disordered between two orientations in a 1:1 ratio.

Related literature

For the use of copper complexes in optical devices, see: Akkiliç et al. (2010); Armaroli et al. (2007); Bessho et al. (2008); Chan et al. (2010); Daniel et al. (2009); Jeon et al. (2008); Kambayashi et al. (2005); Peranantham et al. (2007); Si et al. (2008); Vogler & Kunkely (2001); Walsh et al. (2009). For related complexes with 4-phenylpyridine-N-oxide, see: Papadaki et al. (1999); Watson & Johnson (1971). For general background to studies on copper complexes from our research group, see: Fernandes et al. (2010); Shi et al. (2006); Paz et al. (2005); Girginova et al. (2005); Brandão et al. (2005). For a description of the Cambridge Structural Database, see: Allen (2002).

Experimental

Crystal data

[Cu₂(C₅HF₆O₂)₄(C₁₁H₉NO)₂]
M_r = 1297.70
Triclinic, $[P \overline 1]$
a = 10.3830 (4) Å
b = 10.7870 (4) Å
c = 11.2498 (4) Å
= 99.055 (2)°
= 99.036 (2)°
= 98.258 (2)°
V = 1210.40 (8) Å³
Z = 1
Mo K radiation
= 1.03 mm^-1
T = 150 K
0.18 × 0.10 × 0.09 mm

Data collection

Bruker X8 Kappa CCD APEXII diffractometer
Absorption correction: multi-scan (SADABS; Sheldrick, 1997) T_min = 0.836, T_max = 0.913
47759 measured reflections
6427 independent reflections
5461 reflections with I > 2(I)
R_int = 0.029

Refinement

R[F² > 2(F²)] = 0.048
wR(F²) = 0.139
S = 1.04
6427 reflections
397 parameters
24 restraints
H-atom parameters constrained
_max = 1.21 e Å^-3
_min = -1.40 e Å^-3

Data collection: APEX2 (Bruker, 2006); cell refinement: SAINT-Plus (Bruker, 2005); data reduction: SAINT-Plus; program(s) used to solve structure: SHELXTL (Sheldrick, 2008); program(s) used to refine structure: SHELXTL; molecular graphics: DIAMOND (Brandenburg, 2009); software used to prepare material for publication: SHELXTL.

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: CV2732 ).

Acknowledgements

We are grateful to the Fundação para a Ciência e a Tecnologia (FCT, Portugal) for their general financial support, for specific funding toward the purchase of the single-crystal X-ray diffractometer, and for the post-doctoral and PhD research grants Nos. SFRH/BPD/63736/2009 (to JAF) and SFRH/BD/46601/2008 (to PS), respectively. We further acknowledge the FCT for additional funding under the R&D project PTDC/QUI/69302/2006.

References

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metal-organic compounds

Bis(-4-phenylpyridine N-oxide-2O:O)bis[bis(1,1,1,5,5,5-hexafluoropentane-2,4-dionato)copper(II)]