catena-Poly[[dipyridine­cadmium(II)]-μ-5-amino-2,4,6-triiodo­isophthalato]

Zou, Y.

doi:10.1107/S1600536810039498

Volume 66
Part 11
Page m1371
November 2010

Received 26 September 2010
Accepted 3 October 2010
Online 9 October 2010

Key indicators
Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.014 Å
R = 0.038
wR = 0.089
Data-to-parameter ratio = 20.3
Details

catena-Poly[[dipyridinecadmium(II)]--5-amino-2,4,6-triiodoisophthalato]

Yang Zou ^a ^*

^aChemistry Department, Zhejiang Sci-Tech University, Hangzhou, 310018, People's Republic of China
Correspondence e-mail: zouyang@zstu.edu.cn

The hydrothermal reaction of cadmium(II) nitrate with 5-amino-2,4,6-triiodoisophthalic acid and pyridine in DMF solution leads to the formation of the title compound, [Cd(C₈H₂I₃NO₄)(C₅H₅N)₂]_n. The structure contains a four-coordinate Cd²⁺ion in a distorted tetrahedral geometry, which lies on a crystallographic twofold rotation axis. The Cd²⁺ion is bonded to two N atoms from two pyridine ligands and two carboxylate O atoms from two 5-amino-2,4,6-triiodoisophthalate anions. The Cd-O distances are 2.429 (5) and 2.305 (5) Å and the Cd-N distance is 2.236 (8) Å. The two carboxylate groups of individual 5-amino-2,4,6-triiodoisophthalate anions act as a bridge to the Cd²⁺ atoms. leading to a chain structure along the c axis.

Related literature

For the isotypic Hg complex, see: Zhang et al. (2008). For the structure of 5-amino-2,4,6-triiodoisophthalic acid monohydrate, see: Beck & Sheldrick (2008). For the structures of related metal complexes, see: Dai et al. (2008)·For the use of triiodinated aromatic compounds in radiology, see: Estep et al. (2000).

Experimental

Crystal data

[Cd(C₈H₂I₃NO₄)(C₅H₅N)₂]
M_r = 827.41
Tetragonal, P 4₁ 2₁ 2
a = 11.824 (3) Å
c = 15.841 (9) Å
V = 2214.7 (15) Å³
Z = 4
Mo K radiation
= 5.20 mm^-1
T = 293 K
0.25 × 0.25 × 0.20 mm

Data collection

Bruker SMART CCD diffractometer
Absorption correction: multi-scan (SADABS; Bruker 2003) T_min = 0.357, T_max = 0.423
14248 measured reflections
2714 independent reflections
1949 reflections with I > 2(I)
R_int = 0.054

Refinement

R[F² > 2(F²)] = 0.038
wR(F²) = 0.089
S = 1.02
2714 reflections
134 parameters
60 restraints
H-atom parameters constrained
_max = 0.60 e Å^-3
_min = -0.87 e Å^-3
Absolute structure: Flack (1983), 1096 Friedel pairs
Flack parameter: -0.04 (6)

Data collection: SMART (Bruker, 2003); cell refinement: SAINT (Bruker, 2003); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: XP in SHELXTL (Sheldrick, 2008) and DIAMOND (Brandenburg, 2000); software used to prepare material for publication: SHELXTL and PLATON (Spek, 2009).

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: SI2296 ).

Acknowledgements

The author thanks the Natural Science Foundation of Zhejiang Province, China (No. Y4080342) and the Science Foundation of Zhejiang Sci-Tech University (No. 0813622-Y) for financial support.

References

Beck, T. & Sheldrick, G. M. (2008). Acta Cryst. E64, o1286.
Brandenburg, K. (2000). DIAMOND. Crystal Impact GbR, Bonn, Germany.
Bruker (2003). SADABS, SAINT and SMART. Bruker AXS Inc., Madison, Wisconsin,USA.
Dai, F., He, H. & Sun, D. (2008). J. Am. Chem. Soc. 130, 14064-14065.
Estep, K. G., Josef, K. A., Bacon, E. R., Illig, C. R., Toner, J. L., Mishra, D., Blazak, W. F., Miller, D. M., Johnson, D. K., Allen, J. M., Spencer, A. & Wilson, S. A. (2000). J. Med. Chem. 43, 1940-1948.
Flack, H. D. (1983). Acta Cryst. A39, 876-881.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
Spek, A. L. (2009). Acta Cryst. D65, 148-155.
Zhang, Y., Zhao, J., Tang, G. & Jiang, Z. (2008). Acta Cryst. E64, m1324.

metal-organic compounds