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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 [sigma](C-C) = 0.006 Å
R = 0.033
wR = 0.082
Data-to-parameter ratio = 14.7
Details
Open access

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

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 YIII atom is chelated by four oxalate ligands and one water molecule resulting in a distorted tricapped trigonal-prismatic geometry. Each oxalate ligand bridges two YIII atoms, thus generating a three-dimensional network with cavities in which the ammonium cations and lattice water molecules reside. Various O-H...O and N-H...O 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[Lv, Y. K., Zhan, C. H. & Feng, Y. L. (2010). CrystEngComm, 13, 3052-3056.], 2011[Lv, Y. K., Feng, Y. L., Liu, J. W. & Jiang, Z. G. (2011). J. Solid State Chem. 184, 1339-1345.]). For related structures, see: Platel et al. (2009[Platel, R. H., White, A. J. P. & Williams, C. K. (2009). Chem. Commun. pp. 4115-4117.]); Gao & Cui (2008[Gao, W. & Cui, D. M. (2008). J. Am. Chem. Soc. 130, 4984-4991.]); Deguenon et al. (1990[Deguenon, D., Bernardinelli, G., Tuchagues, J. P. & Castan, P. (1990). Inorg. Chem. 29, 3031-3037.]). The structure of the isotypic EuIII compound was reported by Yang et al. (2005[Yang, Y.-Y., Zai, S.-B., Wong, W.-T. & Ng, S. W. (2005). Acta Cryst. E61, m1912-m1914.]), and that of the DyIII compound by Ye & Lin (2010[Ye, S.-F. & Lin, H. (2010). Acta Cryst. E66, m901-m902.]). For decomposition products obtained under hydrothermal conditions, see: Song et al. (2004[Song, Y., Yu, J., Li, Y., Li, G. & Xu, R. (2004). Angew. Chem. Int. Ed. 43, 2399-2402.]).

[Scheme 1]

Experimental

Crystal data
  • (C2H8N)[Y(C2O4)2(H2O)]·3H2O

  • Mr = 383.11

  • Monoclinic, P 21 /c

  • a = 9.6008 (1) Å

  • b = 11.5422 (2) Å

  • c = 14.2886 (2) Å

  • [beta] = 122.460 (1)°

  • V = 1336.00 (3) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 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[Sheldrick, G. M. (1996). SADABS. University of Göttingen, Germany.]) Tmin = 0.36, Tmax = 0.43

  • 11935 measured reflections

  • 3040 independent reflections

  • 2384 reflections with I > 2[sigma](I)

  • Rint = 0.044

Refinement
  • R[F2 > 2[sigma](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

  • [Delta][rho]max = 0.70 e Å-3

  • [Delta][rho]min = -0.58 e Å-3

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
O1W-H1WA...O2Wi 0.83 (2) 1.93 (2) 2.742 (4) 167 (4)
O1W-H1WB...O2Wii 0.72 (2) 2.20 (2) 2.861 (4) 152 (4)
O2W-H2WA...O6iii 0.81 (2) 2.38 (2) 3.143 (4) 158 (5)
O2W-H2WA...O7iv 0.81 (2) 2.45 (5) 2.944 (4) 121 (5)
O2W-H2WB...O3Wv 0.79 (2) 2.38 (3) 2.963 (7) 131 (4)
O2W-H2WB...O4W 0.79 (2) 2.44 (3) 3.194 (6) 159 (5)
O3W-H3WA...O2 0.88 (2) 2.36 (7) 2.830 (5) 114 (6)
O3W-H3WB...O4Wiv 0.86 (2) 1.90 (3) 2.735 (6) 161 (6)
O4W-H4WA...O1vi 0.82 (2) 2.13 (2) 2.943 (4) 172 (5)
O4W-H4WB...O3vii 0.83 (2) 2.08 (3) 2.857 (4) 155 (6)
N1-H1A...O8vi 0.90 2.00 2.869 (4) 163
N1-H1A...O1Wvi 0.90 2.54 3.107 (4) 122
N1-H1B...O3W 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[Bruker (2006). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 2006[Bruker (2006). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); molecular graphics: DIAMOND (Brandenburg & Putz, 2004[Brandenburg, K. & Putz, H. (2004). DIAMOND. Crystal Impact GbR, Bonn, Germany.]); software used to prepare material for publication: SHELXTL (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]).


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.  [ChemPort]
Gao, W. & Cui, D. M. (2008). J. Am. Chem. Soc. 130, 4984-4991.  [ISI] [PubMed] [ChemPort]
Lv, Y. K., Feng, Y. L., Liu, J. W. & Jiang, Z. G. (2011). J. Solid State Chem. 184, 1339-1345.  [ChemPort]
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.  [CrossRef] [details]
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.  [CSD] [CrossRef] [details]
Ye, S.-F. & Lin, H. (2010). Acta Cryst. E66, m901-m902.  [CrossRef] [details]


Acta Cryst (2011). E67, m837-m838   [ doi:10.1107/S1600536811019209 ]

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