μ-Pyrazine-bis­[tetra­aqua­cadmium(II)] μ-pyrazine-bis­[tetra­acetato­cadmium(II)]

Fun, H.-K.; Chantrapromma, S.; Marandi, F.

doi:10.1107/S1600536808010994

Volume 64
Part 5
Pages m736-m737
May 2008

Received 31 March 2008
Accepted 19 April 2008
Online 30 April 2008

Key indicators
Single-crystal X-ray study
T = 100 K
Mean (C-C) = 0.002 Å
Disorder in main residue
R = 0.016
wR = 0.034
Data-to-parameter ratio = 17.1
Details

-Pyrazine-bis[tetraaquacadmium(II)] -pyrazine-bis[tetraacetatocadmium(II)]

Hoong-Kun Fun,^a ^* Suchada Chantrapromma ^b ⁺ and Farzin Marandi ^c

^aX-ray Crystallography Unit, School of Physics, Universiti Sains Malaysia, 11800 USM, Penang, Malaysia,^bDepartment of Chemistry, Faculty of Science, Prince of Songkla University, Hat-Yai, Songkhla 90112, Thailand, and ^cDepartment of Science, Payame Noor University, Zanjan, Iran
Correspondence e-mail: hkfun@usm.my

In the title dinuclear ionic complex, [Cd₂(C₄H₄N₂)(H₂O)₈][Cd₂(CH₃CO₂)₈(C₄H₄N₂)], the cation and anion are disordered equally over a site with symmetry mmm. The Cd^II ions and the N atoms of the bridging pyrazine ligand lie on the intersection of two crystallographic mirror planes. The C atoms of the bridging pyrazine ligand lie on one of these mirror planes, and the acetate groups and water molecules lie across the intersecting mirror planes. Each Cd^II atom in the cation is five-coordinated by four O atoms from four water molecules and one N atom from the bridging pyrazine ligand, whereas each Cd^II in the anion is nine-coordinated by four pairs of O atoms from the bidentate acetate ligands and one N atom from the bridging pyrazine ligand. In the crystal structure, each anion is surrounded by eight nearest-neighbour cations and vice versa. The crystal structure is stabilized by ionic interactions as well as by C-HO interactions.

Related literature

For bond-length data, see: Allen et al. (1987). For Cd^II coordination chemistry, applications and related structures, see: Filipovic et al. (2008); Inoue et al. (2000); Pons et al. (2007); Xia et al. (2004).

Experimental

Crystal data

[Cd₂(C₄H₄N₂)(H₂O)₈][Cd₂(C₂H₃O₂)₈(C₄H₄N₂)]
M_r = 1226.26
Tetragonal, I 4/m c m
a = 16.7103 (4) Å
c = 7.3533 (2) Å
V = 2053.29 (9) Å³
Z = 2
Mo K radiation
= 2.13 mm^-1
T = 100.0 (1) K
0.58 × 0.08 × 0.05 mm

Data collection

Bruker SMART APEXII CCD area-detector diffractometer
Absorption correction: multi-scan (SADABS; Bruker, 2005) T_min = 0.371, T_max = 0.895
12617 measured reflections
1246 independent reflections
1145 reflections with I > 2(I)
R_int = 0.037

Refinement

R[F² > 2(F²)] = 0.016
wR(F²) = 0.034
S = 1.06
1246 reflections
73 parameters
2 restraints
H atoms treated by a mixture of independent and constrained refinement
_max = 0.59 e Å^-3
_min = -0.44 e Å^-3

Table 1
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
C1-H1AO2	0.96	2.47	3.0405 (18)	118
C1-H1AO1Wⁱ	0.96	2.56	3.2700 (17)	131
C1-H1AO2ⁱⁱ	0.96	2.47	3.0405 (18)	118
C1-H1AO1Wⁱⁱⁱ	0.96	2.56	3.2700 (17)	131
Symmetry codes: (i) $[-x, y, -z+{\script{1\over 2}}]$ ; (ii) x, y, -z; (iii) $[-x, y, z-{\script{1\over 2}}]$ .

Data collection: APEX2 (Bruker, 2005); cell refinement: APEX2; data reduction: SAINT (Bruker, 2005); program(s) used to solve structure: SHELXTL (Sheldrick, 2008); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; 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: CI2576 ).

Acknowledgements

The authors thank the Malaysian Government and Universiti Sains Malaysia for the Scientific Advancement Grant Allocation (SAGA) grant No. 304/PFIZIK/653003/A118. SC thanks Prince of Songkla University for generous support.

References

Allen, F. H., Kennard, O., Watson, D. G., Brammer, L., Orpen, A. G. & Taylor, R. (1987). J. Chem. Soc. Perkin Trans. 2, pp. S1-S19.
Bruker (2005). APEX2, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.
Filipovic, N. R., Bacchi, A., Lazic, M., Pelizzi, G., Radulovic, S., Sladic, D., Todorovic, T. R. & Andelkovic, K. K. (2008). Inorg. Chem. Commun. 11, 47-50.
Inoue, M. B., Muñoz, I. C., Inoue, M. & Fernando, Q. (2000). Inorg. Chim. Acta, 300-302, 206-211.
Pons, J., García-Antón, J., Jiménez, R., Solans, X., Font-Bardia, M. & Ros, J. (2007). Inorg. Chem. Commun. 10, 1554-1556.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
Spek, A. L. (2003). J. Appl. Cryst. 36, 7-13.
Xia, S.-Q., Hu, S.-M., Dai, J.-C., Wu, X.-T., Fu, Z.-Y., Zhang, J.-J. & Du, W.-X. (2004). Polyhedron, 23, 1003-1009.

metal-organic compounds