Poly[dimethyl­ammonium [aquadi-μ2-oxalato-yttriate(III)] trihydrate]

Lv, Y.-K.; Gan, L.-H.; Xu, L.; Zheng, H.-W.; Liu, C.

doi:10.1107/S1600536811019209

Volume 67
Part 7
Pages m837-m838
July 2011

Received 11 May 2011
Accepted 20 May 2011
Online 4 June 2011

Key indicators
Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.006 Å
R = 0.033
wR = 0.082
Data-to-parameter ratio = 14.7
Details

Poly[dimethylammonium [aquadi-₂-oxalato-yttriate(III)] trihydrate]

Yao-Kang Lv,^a Li-Hua Gan,^a ^* Liang Xu,^a Hao-Wen Zheng ^a and Cao Liu ^a

^aDepartment of Chemistry, Tongji University, Shanghai 200092, People's Republic of China
Correspondence e-mail: ganlh@tongji.edu.cn

The title complex, {(C₂H₈N)[Y(C₂O₄)₂(H₂O)]·3H₂O}_n, was obtained accidentally under hydrothermal conditions. The Y^III atom is chelated by four oxalate ligands and one water molecule resulting in a distorted tricapped trigonal-prismatic geometry. Each oxalate ligand bridges two Y^III atoms, thus generating a three-dimensional network with cavities in which the ammonium cations and lattice water molecules reside. Various O-HO and N-HO hydrogen-bonding interactions stabilize the crystal structure. The title complex is isotypic with the Eu and Dy analogues.

Related literature

For general background to the rational design and synthesis of metal-organic polymers, see: Lv et al. (2010, 2011). For related structures, see: Platel et al. (2009); Gao & Cui (2008); Deguenon et al. (1990). The structure of the isotypic Eu^III compound was reported by Yang et al. (2005), and that of the Dy^III compound by Ye & Lin (2010). For decomposition products obtained under hydrothermal conditions, see: Song et al. (2004).

Experimental

Crystal data

(C₂H₈N)[Y(C₂O₄)₂(H₂O)]·3H₂O
M_r = 383.11
Monoclinic, P 2₁ /c
a = 9.6008 (1) Å
b = 11.5422 (2) Å
c = 14.2886 (2) Å
= 122.460 (1)°
V = 1336.00 (3) Å³
Z = 4
Mo K radiation
= 4.43 mm^-1
T = 293 K
0.31 × 0.20 × 0.19 mm

Data collection

Bruker APEXII area-detector diffractometer
Absorption correction: multi-scan (SADABS; Sheldrick, 1996) T_min = 0.36, T_max = 0.43
11935 measured reflections
3040 independent reflections
2384 reflections with I > 2(I)
R_int = 0.044

Refinement

R[F² > 2(F²)] = 0.033
wR(F²) = 0.082
S = 1.00
3040 reflections
207 parameters
13 restraints
H atoms treated by a mixture of independent and constrained refinement
_max = 0.70 e Å^-3
_min = -0.58 e Å^-3

Table 1
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
O1W-H1WAO2Wⁱ	0.83 (2)	1.93 (2)	2.742 (4)	167 (4)
O1W-H1WBO2Wⁱⁱ	0.72 (2)	2.20 (2)	2.861 (4)	152 (4)
O2W-H2WAO6ⁱⁱⁱ	0.81 (2)	2.38 (2)	3.143 (4)	158 (5)
O2W-H2WAO7^iv	0.81 (2)	2.45 (5)	2.944 (4)	121 (5)
O2W-H2WBO3W^v	0.79 (2)	2.38 (3)	2.963 (7)	131 (4)
O2W-H2WBO4W	0.79 (2)	2.44 (3)	3.194 (6)	159 (5)
O3W-H3WAO2	0.88 (2)	2.36 (7)	2.830 (5)	114 (6)
O3W-H3WBO4W^iv	0.86 (2)	1.90 (3)	2.735 (6)	161 (6)
O4W-H4WAO1^vi	0.82 (2)	2.13 (2)	2.943 (4)	172 (5)
O4W-H4WBO3^vii	0.83 (2)	2.08 (3)	2.857 (4)	155 (6)
N1-H1AO8^vi	0.90	2.00	2.869 (4)	163
N1-H1AO1W^vi	0.90	2.54	3.107 (4)	122
N1-H1BO3W	0.90	1.90	2.784 (6)	166
Symmetry codes: (i) -x+2, -y+2, -z+1; (ii) x-1, y, z-1; (iii) $[x+1, -y+{\script{3\over 2}}, z+{\script{1\over 2}}]$ ; (iv) $[-x+2, y-{\script{1\over 2}}, -z+{\script{3\over 2}}]$ ; (v) $[-x+2, y+{\script{1\over 2}}, -z+{\script{3\over 2}}]$ ; (vi) $[x, -y+{\script{3\over 2}}, z+{\script{1\over 2}}]$ ; (vii) x+1, y, z+1.

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: DIAMOND (Brandenburg & Putz, 2004); software used to prepare material for publication: SHELXTL (Sheldrick, 2008).

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: WM2489 ).

Acknowledgements

The present work was supported financially by the National Natural Science Foundation of China (No. 20973127) and Shanghai Nanotechnology Promotion Center (No. 0952nm00800).

References

Brandenburg, K. & Putz, H. (2004). DIAMOND. Crystal Impact GbR, Bonn, Germany.
Bruker (2006). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.
Deguenon, D., Bernardinelli, G., Tuchagues, J. P. & Castan, P. (1990). Inorg. Chem. 29, 3031-3037.
Gao, W. & Cui, D. M. (2008). J. Am. Chem. Soc. 130, 4984-4991.
Lv, Y. K., Feng, Y. L., Liu, J. W. & Jiang, Z. G. (2011). J. Solid State Chem. 184, 1339-1345.
Lv, Y. K., Zhan, C. H. & Feng, Y. L. (2010). CrystEngComm, 13, 3052-3056.
Platel, R. H., White, A. J. P. & Williams, C. K. (2009). Chem. Commun. pp. 4115-4117.
Sheldrick, G. M. (1996). SADABS. University of Göttingen, Germany.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
Song, Y., Yu, J., Li, Y., Li, G. & Xu, R. (2004). Angew. Chem. Int. Ed. 43, 2399-2402.
Yang, Y.-Y., Zai, S.-B., Wong, W.-T. & Ng, S. W. (2005). Acta Cryst. E61, m1912-m1914.
Ye, S.-F. & Lin, H. (2010). Acta Cryst. E66, m901-m902.

metal-organic compounds

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