(IUCr) Poly[[[mu]4-tartrato-cadmium(II)] 0.167-hydrate]

Volume 65
Part 6
Page m629
June 2009

Received 1 May 2009
Accepted 5 May 2009
Online 14 May 2009

Key indicators
Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.005 Å
Disorder in solvent or counterion
R = 0.022
wR = 0.060
Data-to-parameter ratio = 13.3
Details

Poly[[₄-tartrato-cadmium(II)] 0.167-hydrate]

Li-Zhen Zhao,^a Ping Li,^a Bao-Liang Cao ^a and Seik Weng Ng ^b ^*

^aDepartment of Chemistry, Jining Normal College, Wulanchabu, Inner Mongolia 012000, People's Republic of China, and ^bDepartment of Chemistry, University of Malaya, 50603 Kuala Lumpur, Malaysia
Correspondence e-mail: seikweng@um.edu.my

The title compound, {[Cd(C₄H₄O₆)]·0.167H₂O}_n, adopts a three-dimensional network structure in which each Cd^II ion is chelated by two pairs of carboxylate and hydroxyl O atoms from two tartrate anions, and is additionally linked to two O atoms of two carboxylate groups that are not involved in chelation. The asymmetric unit has four independent cadmium atoms, two of which lie on special positions of 2 site symmetry. The tartrate anions all lie on general positions. All hydroxyl groups are engaged in O-HO hydrogen-bonds, one of which is also bifurcated. The non-coordinating water molecule is situated on a site with half-occupation.

Related literature

For the structure of cadmium tartrate trihydrate, see: González-Silgo et al. (1999).

Experimental

Crystal data

[Cd(C₄H₄O₆)]·0.167H₂O
M_r = 263.47
Orthorhombic, C 222₁
a = 10.7901 (4) Å
b = 11.1995 (5) Å
c = 30.588 (1) Å
V = 3696.3 (3) Å³
Z = 24
Mo K radiation
= 3.53 mm^-1
T = 293 K
0.37 × 0.22 × 0.15 mm

Data collection

Bruker APEXII area-detector difractometer diffractometer
Absorption correction: multi-scan (SADABS, Sheldrick, 1996) T_min = 0.505, T_max = 0.780 (expected range = 0.382-0.589)
13041 measured reflections
4095 independent reflections
4073 reflections with I > 2(I)
R_int = 0.018

Refinement

R[F² > 2(F²)] = 0.022
wR(F²) = 0.060
S = 1.02
4095 reflections
308 parameters
6 restraints
H-atom parameters constrained
_max = 1.34 e Å^-3
_min = -1.18 e Å^-3
Absolute structure: Flack (1983), 1733 Friedel pairs
Flack parameter: -0.02 (2)

Table 1
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
O3-H3O18ⁱ	0.82	1.96	2.740 (4)	159
O4-H4O10ⁱⁱ	0.82	2.50	3.236 (6)	149
O9-H9O11ⁱⁱⁱ	0.82	2.17	2.797 (5)	134
O9-H9O1w	0.82	2.12	2.68 (2)	125
O10-H10O15ⁱⁱ	0.82	2.15	2.938 (4)	160
O15-H15O1^iv	0.82	2.13	2.717 (4)	128
O16-H16O7^v	0.82	1.84	2.609 (4)	155
O1W-H1W1O14ⁱⁱⁱ	0.82	2.26	3.034 (19)	157
Symmetry codes: (i) $[-x+{\script{3\over 2}}, y+{\script{1\over 2}}, -z+{\script{3\over 2}}]$ ; (ii) $[x+{\script{1\over 2}}, y+{\script{1\over 2}}, z]$ ; (iii) $[x+{\script{1\over 2}}, -y+{\script{3\over 2}}, -z+1]$ ; (iv) $[x-{\script{1\over 2}}, y-{\script{1\over 2}}, z]$ ; (v) x-1, y, z.

Data collection: APEX2 (Bruker, 2007); cell refinement: SAINT (Bruker, 2007); 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, 2009).

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: CI2796 ).

Acknowledgements

We acknowledge support from the Scientific Research Projects of Higher Education of Inner Mongolia (NJzy08217) and the University of Malaya.

References

Barbour, L. J. (2001). J. Supramol. Chem. 1, 189-191.
Bruker (2007). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.
Flack, H. D. (1983). Acta Cryst. A39, 876-881.
González-Silgo, C., González-Platas, J., Ruiz-Pérez, C., López, T. & Torres, M. E. (1999). Acta Cryst. C55, 710-712.
Sheldrick, G. M. (1996). SADABS. University of Göttingen, Germany.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
Westrip, S. P. (2009). publCIF. In preparation.

metal-organic compounds

Poly[[4-tartrato-cadmium(II)] 0.167-hydrate]