Di-μ-acetato-κ3O,O′:O;κ3O:O,O′-bis­[(acetato-κ2O,O′)(1,10-phenan­throline-κ2N,N′)cadmium(II)]

Harvey, M.A.; Baggio, S.; Garland, M.T.; Baggio, R.

doi:10.1107/S1600536808029462

Volume 64
Part 11
Page m1450
November 2008

Received 16 August 2008
Accepted 15 September 2008
Online 22 October 2008

Key indicators
Single-crystal X-ray study
T = 150 K
Mean (C-C) = 0.003 Å
R = 0.024
wR = 0.065
Data-to-parameter ratio = 15.9
Details

Di--acetato-³O,O':O;³O:O,O'-bis[(acetato-²O,O')(1,10-phenanthroline-²N,N')cadmium(II)]

Miguel Angel Harvey,^a,^b ^* Sergio Baggio,^b,^c María Teresa Garland ^d and Ricardo Baggio ^e

^aUniversidad Nacional de la Patagonia, Sede Trelew, 9100 Trelew, Chubut, Argentina,^bCenPat, CONICET, 9120 Puerto Madryn, Chubut, Argentina,^cUniversidad Nacional de la Patagonia, Sede Puerto Madryn, Argentina,^dDepartamento de Física, Facultad de Ciencias Físicas y Matemáticas, Universidad de Chile and CIMAT, Casilla 487-3, Santiago de Chile, Chile, and ^eDepartamento de Física, Comisión Nacional de Energía Atómica, Buenos Aires, Argentina
Correspondence e-mail: unharvey@cenpat.edu.ar

The title compound, [Cd₂(C₂H₃O₂)₄(C₁₂H₈N₂)₂], consists of dimeric units built up around a crystallographic symmetry centre. Each cadmium(II) unit is chelated by a 1,10-phenanthroline (phen) group and two acetate ligands, one of which also acts as a bridge, linking both seven-coordinated cadmium(II) centres. The crystal structure is governed by a single [pi] - [pi] interaction between stacked phen groups [centroid-centroid distance 3.5209 (11) Å], leading to a planar structure parallel to (010).

Related literature

For related literature, see: Brown & Altermatt (1985); Janiak (2000); Harvey et al. (2006).

Experimental

Crystal data

[Cd₂(C₂H₃O₂)₄(C₁₂H₈N₂)₂]
M_r = 821.40
Orthorhombic, P b c a
a = 8.4422 (7) Å
b = 15.6384 (13) Å
c = 22.2195 (18) Å
V = 2933.5 (4) Å³
Z = 4
Mo K radiation
= 1.51 mm^-1
T = 150 (2) K
0.50 × 0.40 × 0.20 mm

Data collection

Bruker SMART CCD area-detector diffractometer
Absorption correction: multi-scan (SADABS; Sheldrick, 2001) T_min = 0.50, T_max = 0.74
22676 measured reflections
3331 independent reflections
3062 reflections with I > 2(I)
R_int = 0.020

Refinement

R[F² > 2(F²)] = 0.024
wR(F²) = 0.064
S = 1.06
3331 reflections
210 parameters
H-atom parameters constrained
_max = 1.58 e Å^-3
_min = -0.40 e Å^-3

Table 1
Selected bond lengths (Å)

Cd1-O13	2.2594 (15)
Cd1-O14	2.3239 (13)
Cd1-N1	2.3466 (15)
Cd1-N2	2.3890 (18)
Cd1-O14ⁱ	2.4398 (13)
Cd1-O24	2.4561 (15)
Cd1-O23	2.5425 (16)
Symmetry code: (i) -x+2, -y+1, -z+1.

Data collection: SMART (Bruker, 2001); cell refinement: SAINT (Bruker, 2001); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: SHELXTL (Sheldrick, 2008); software used to prepare material for publication: SHELXTL and PLATON (Spek, 2003).

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: KJ2097 ).

Acknowledgements

We acknowledge the Spanish Research Council (CSIC) for providing us with a free-of-charge licence for the CSD (Allen, 2002).

References

Allen, F. H. (2002). Acta Cryst. B58, 380-388.
Brown, I. D. & Altermatt, D. (1985). Acta Cryst. B41, 244-247.
Bruker (2001). SMART and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.
Harvey, M. A., Baggio, S. & Baggio, R. (2006). Acta Cryst. B62, 1038-1042.
Janiak, C. (2000). J. Chem. Soc. Dalton Trans. pp. 3885-3898.
Sheldrick, G. M. (2001). SADABS. University of Göttingen, Germany.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
Spek, A. L. (2003). J. Appl. Cryst. 36, 7-13.

metal-organic compounds

Di--acetato-3O,O':O;3O:O,O'-bis[(acetato-2O,O')(1,10-phenanthroline-2N,N')cadmium(II)]