Poly[bis­(μ2-benzyl­oxyacetato-κ3O,O′:O′′)cadmium(II)]

Liu, J.-W.; Ng, S.W.

doi:10.1107/S1600536808010799

Volume 64
Part 5
Page m708
May 2008

Received 9 April 2008
Accepted 18 April 2008
Online 23 April 2008

Key indicators
Single-crystal X-ray study
T = 295 K
Mean (C-C) = 0.011 Å
Disorder in main residue
R = 0.044
wR = 0.125
Data-to-parameter ratio = 15.2
Details

Poly[bis(₂-benzyloxyacetato-³O,O':O'')cadmium(II)]

Ji-Wei Liu ^a and Seik Weng Ng ^b ^*

^aCollege of Chemistry and Chemical Technology, Daqing Petroleum Institute, Daqing 163318, 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 cadmium derivative of benzyloxyacetic acid, [Cd(C₉H₉O₃)₂]_n, exists as a ₂-carboxylate-bridged layer network. Two benzyloxyacetate units each chelate the metal through a carboxylate as well as through the ether O atoms; the metal is also coordinated by the double-bond carbonyl O atom of two adjacent benzyloxyacetate units in an octahedral geometry. The metal atom lies on a special position of 2 site symmetry. The phenyl group is disordered equally over two positions.

Related literature

There are no crystallographic examples of metal benzyloxyacetates although there are many examples of metal aryloxyacetates. For mononuclear diaquadi(phenoxyacetato)cadmium, see: Mak et al. (1985).

Experimental

Crystal data

[Cd(C₉H₉O₃)₂]
M_r = 442.72
Orthorhombic, P 2₁ 2₁ 2
a = 6.7430 (2) Å
b = 8.9449 (2) Å
c = 15.4736 (4) Å
V = 933.30 (4) Å³
Z = 2
Mo K radiation
= 1.20 mm^-1
T = 295 (2) K
0.33 × 0.13 × 0.04 mm

Data collection

Bruker APEXII diffractometer
Absorption correction: multi-scan (SADABS; Sheldrick, 1996) T_min = 0.693, T_max = 0.954
5780 measured reflections
1639 independent reflections
1483 reflections with I > 2(I)
R_int = 0.039

Refinement

R[F² > 2(F²)] = 0.044
wR(F²) = 0.124
S = 1.09
1639 reflections
108 parameters
37 restraints
H-atom parameters constrained
_max = 2.22 e Å^-3
_min = -0.88 e Å^-3
Absolute structure: Flack (1983), 501 Friedel pairs
Flack parameter: 0.03 (8)

Table 1
Selected geometric parameters (Å, °)

Cd1-O1	2.268 (4)
Cd1-O1ⁱ	2.268 (4)
Cd1-O2ⁱⁱ	2.226 (5)
Cd1-O2ⁱⁱⁱ	2.226 (5)
Cd1-O3	2.379 (4)
Cd1-O3ⁱ	2.379 (4)

O1-Cd1-O1ⁱ	161.2 (3)
O1-Cd1-O2ⁱⁱ	105.9 (2)
O1-Cd1-O2ⁱⁱⁱ	87.2 (2)
O1-Cd1-O3	69.6 (2)
O1-Cd1-O3ⁱ	95.5 (2)
O1ⁱ-Cd1-O2ⁱⁱ	87.2 (2)
O1ⁱ-Cd1-O2ⁱⁱⁱ	105.9 (2)
O1ⁱ-Cd1-O3ⁱ	69.6 (2)
O1ⁱ-Cd1-O3	95.5 (2)
O2ⁱⁱ-Cd1-O2ⁱⁱⁱ	93.3 (3)
O2ⁱⁱ-Cd1-O3	98.3 (2)
O2ⁱⁱ-Cd1-O3ⁱ	156.2 (2)
O2ⁱⁱⁱ-Cd1-O3	156.2 (2)
O2ⁱⁱⁱ-Cd1-O3ⁱ	98.3 (2)
O3-Cd1-O3ⁱ	79.1 (2)
Symmetry codes: (i) -x+2, -y+2, z; (ii) $[x-{\script{1\over 2}}, -y+{\script{3\over 2}}, -z]$ ; (iii) $[-x+{\script{5\over 2}}, y+{\script{1\over 2}}, -z]$ .

Data collection: APEX2 (Bruker, 2006); cell refinement: SAINT (Bruker, 2006); 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); OLEX (Dolomanov et al., 2003); software used to prepare material for publication: SHELXL97.

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: SG2235 ).

Acknowledgements

The authors thank Daqing Petroleum Institute and the University of Malaya for generously supporting this study.

References

Barbour, L. J. (2001). J. Supramol. Chem. 1, 189-191.
Bruker (2006). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.
Dolomanov, O. V., Blake, A. J., Champness, N. R. & Schröder, M. (2003). J. Appl. Cryst. 36, 1283-1284.
Flack, H. D. (1983). Acta Cryst. A39, 876-881.
Mak, T. C. W., Yip, H.-W., O'Reilly, E. J., Smith, G. & Kennard, C. H. L. (1985). Inorg. Chim. Acta, 100, 267-273.
Sheldrick, G. M. (1996). SADABS. University of Göttingen, Germany.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.

metal-organic compounds

Poly[bis(2-benzyloxyacetato-3O,O':O'')cadmium(II)]