Di-μ3-acetato-bis­{μ-6,6′-dieth­oxy-2,2′-[propane-1,2-diylbis(nitrilo­methanylyl­idene)]diphenolato}dicadmiumdisodium ethanol 0.67-solvate

Ng, S.W.

doi:10.1107/S1600536812047356

Volume 68
Part 12
Pages m1548-m1549
December 2012

Received 27 October 2012
Accepted 18 November 2012
Online 28 November 2012

Key indicators
Single-crystal X-ray study
T = 100 K
Mean (C-C) = 0.006 Å
Disorder in main residue
R = 0.054
wR = 0.147
Data-to-parameter ratio = 19.0
Details

Di-₃-acetato-bis{-6,6'-diethoxy-2,2'-[propane-1,2-diylbis(nitrilomethanylylidene)]diphenolato}dicadmiumdisodium ethanol 0.67-solvate

Seik Weng Ng ^a,^b ^*

^aDepartment of Chemistry, University of Malaya, 50603 Kuala Lumpur, Malaysia, and ^bChemistry Department, King Abdulaziz University, PO Box 80203 Jeddah, Saudi Arabia
Correspondence e-mail: seikweng@um.edu.my

In the crystal of the title compound, [Cd₂Na₂(C₂H₃O₂)₂(C₂₁H₂₄N₂O₄)₂]·0.67C₂H₆O, the doubly deprotonated Schiff base ligand N,N',O,O'-chelates to the Cd^II cation, which is also O,O'-chelated by the acetate ion. Two Cd-Schiff base units are connected to two Na⁺ atoms to form the tetranuclear complex, in which the Cd²⁺ and Na⁺ cations show distorted octahedral coordinations. The asymmetric unit consists of half a tetranuclear molecule (lying on an inversion center) and a full tetranuclear molecule (lying on a general position) along with a lattice ethanol molecule, which links to the coordinating acetate ion via an O-HO hydrogen bond. In the crystal, the propyl and ethyl groups of the complex molecule are disordered over two positions in a 1:1 ratio; the ethyl group of the lattice ethanol molecule is also equally disordered over two positions.

Related literature

For the synthesis and structure of the Schiff base ligand, see: Fun et al. (2009); Jia (2009).

Experimental

Crystal data

[Cd₂Na₂(C₂H₃O₂)₂(C₂₁H₂₄N₂O₄)₂]·0.67C₂H₆O
M_r = 1156.42
Triclinic, $[P \overline 1]$
a = 13.3568 (8) Å
b = 15.0271 (9) Å
c = 20.7493 (13) Å
= 71.359 (2)°
= 71.551 (2)°
= 89.253 (2)°
V = 3725.4 (4) Å³
Z = 3
Mo K radiation
= 0.94 mm^-1
T = 100 K
0.15 × 0.10 × 0.10 mm

Data collection

Bruker SMART APEX diffractometer
Absorption correction: multi-scan (SADABS; Sheldrick, 1996) T_min = 0.872, T_max = 0.912
35751 measured reflections
17030 independent reflections
14709 reflections with I > 2(I)
R_int = 0.017

Refinement

R[F² > 2(F²)] = 0.054
wR(F²) = 0.147
S = 1.05
17030 reflections
897 parameters
176 restraints
H-atom parameters constrained
_max = 2.21 e Å^-3
_min = -1.50 e Å^-3

Table 1
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
O19-H19O17	0.84	1.99	2.730 (7)	146

Data collection: APEX2 (Bruker, 2009); cell refinement: SAINT (Bruker, 2009); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: X-SEED (Barbour, 2001); software used to prepare material for publication: publCIF (Westrip, 2010).

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: XU5642 ).

Acknowledgements

The author thanks Dr Kong Mun Lo for providing the crystal, and the Ministry of Higher Education of Malaysia (grant No. UM.C/HIR/MOHE/SC/12) for supporting this study.

References

Barbour, L. J. (2001). J. Supramol. Chem. 1, 189-191.
Bruker (2009). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.
Fun, H.-K., Kia, R., Kargar, H. & Jamshidvand, A. (2009). Acta Cryst. E65, o722-o723.
Jia, Z. (2009). Acta Cryst. E65, o646.
Sheldrick, G. M. (1996). SADABS. University of Göttingen, Germany.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
Westrip, S. P. (2010). J. Appl. Cryst. 43, 920-925.

metal-organic compounds

Di-3-acetato-bis{-6,6'-diethoxy-2,2'-[propane-1,2-diylbis(nitrilomethanylylidene)]diphenolato}dicadmiumdisodium ethanol 0.67-solvate