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Volume 67 
Part 4 
Page m412  
April 2011  

Received 16 February 2011
Accepted 1 March 2011
Online 9 March 2011

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Key indicators
Single-crystal X-ray study
T = 298 K
Mean [sigma](C-C) = 0.008 Å
Disorder in main residue
R = 0.025
wR = 0.066
Data-to-parameter ratio = 13.3
Details
Open access

Poly[[tetraaquatris([mu]3-hexane-1,6-dicarboxylato)diterbium(III)] 0.25-hydrate]

Fei-Fei Li,a* Hui-Ju Zhanga and Li-Na Zhanga

aDepartment of Physics and Chemistry, Henan Polytechnic University, Jiaozuo, Henan 454000, People's Republic of China
Correspondence e-mail: lifeifei@hpu.edu.cn

In the title terbium coordination polymer, {[Tb2(C6H8O4)3(H2O)4]·0.25H2O}n, the TbIII atom is nine-coordinated, forming a TbO9 polyhedra. Furthermore, two symmetric TbO9 polyhedra share their edges, forming Tb2O16 dimers, which are linked by adipate bridges into a layered structure. Intermolecular O-H...O hydrogen bonds link these layers into a three-dimensional network. One of the C atoms of the adipate ligand is disordered over two positions with site-occupancy factors of 0.622 (9) and 0.378 (9). The structure also contains a disordered molecule of water of hydration, lying close to a special position, with partial occupancy.

Related literature

For background to coordination polymers, see: Moulton & Zaworotko (2001[Moulton, B. & Zaworotko, M. J. (2001). Chem. Rev. 101, 1629-1658.]); Wood & Thompson (2007[Wood, T. E. & Thompson, A. (2007). Chem. Rev. 107, 1831-1861.]). For the structures of rare earth--adipate compounds, see: Dimos et al. (2002[Dimos, A., Tsaousis, D., Michaelides, A., Skoulika, S., Golhen, S., Ouahab, L., Didierjean, C. & Aubry, A. (2002). Chem. Mater. 14, 2616-2622.]); Duan et al. (2004[Duan, L. M., Xu, J. Q., Xie, F. T., Liu, Y. B. & Ding, H. (2004). Inorg. Chem. Commun. 7, 216-219.]); Kim et al. (2004[Kim, Y., Suh, M. & Jung, D. Y. (2004). Inorg. Chem. 43, 245-250.]); Kiritsis et al. (1998[Kiritsis, V., Michaelides, A., Skoulika, S., Golhen, S. & Ouahab, L. (1998). Inorg. Chem. 37, 3407-3410.]). For isotypic La(III) and Dy(III) structures, see: Kim et al. (2004[Kim, Y., Suh, M. & Jung, D. Y. (2004). Inorg. Chem. 43, 245-250.]); Lill et al. (2005[Lill, D. T., Brennessel, W. W., Borkowski, L. A., Gunning, N. S. & Cahill, C. L. (2005). Acta Cryst. E61, m1343-m1345.]).

[Scheme 1]

Experimental

Crystal data

  • [Tb2(C6H8O4)3(H2O)4]·0.25H2O

  • Mr = 826.78

  • Monoclinic, P 21 /c

  • a = 11.603 (6) Å

  • b = 13.886 (7) Å

  • c = 8.969 (4) Å

  • [beta] = 111.017 (7)°

  • V = 1348.9 (11) Å3

  • Z = 2

  • Mo K[alpha] radiation

  • [mu] = 5.27 mm-1

  • T = 298 K

  • 0.25 × 0.05 × 0.05 mm
Data collection

  • Bruker APEXII CCD diffractometer

  • Absorption correction: multi-scan (SADABS; Sheldrick, 1996)[Sheldrick, G. M. (1996). SADABS. University of Göttingen, Germany.] Tmin = 0.352, Tmax = 0.779

  • 7908 measured reflections

  • 2335 independent reflections

  • 2008 reflections with I > 2[sigma](I)

  • Rint = 0.037
Refinement

  • R[F2 > 2[sigma](F2)] = 0.025

  • wR(F2) = 0.066

  • S = 1.06

  • 2335 reflections

  • 176 parameters

  • 6 restraints

  • H-atom parameters constrained

  • [Delta][rho]max = 0.89 e Å-3

  • [Delta][rho]min = -1.85 e Å-3

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
O8-H3...O4i 0.97 1.83 2.764 (4) 160
O8-H4...O5ii 0.92 1.78 2.691 (4) 170
O7-H1...O2i 0.91 1.75 2.657 (4) 170
O7-H2...O3iii 0.98 1.81 2.682 (4) 146
Symmetry codes: (i) [x, -y+{\script{1\over 2}}, z-{\script{1\over 2}}]; (ii) [x, -y+{\script{1\over 2}}, z+{\script{1\over 2}}]; (iii) -x+1, -y, -z+1.

Data collection: APEX2 (Bruker, 2008[Bruker (2008). APEX2, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 2008[Bruker (2008). APEX2, SAINT and SADABS. 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: SHELXTL (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); software used to prepare material for publication: SHELXTL.

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: PV2390 ).

Acknowledgements

The authors acknowledge the Doctoral Foundation of Henan Polytechnic University (B648174).

References

Bruker (2008). APEX2, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.
Dimos, A., Tsaousis, D., Michaelides, A., Skoulika, S., Golhen, S., Ouahab, L., Didierjean, C. & Aubry, A. (2002). Chem. Mater. 14, 2616-2622.  [ISI] [CrossRef] [ChemPort]
Duan, L. M., Xu, J. Q., Xie, F. T., Liu, Y. B. & Ding, H. (2004). Inorg. Chem. Commun. 7, 216-219.  [ChemPort]
Kim, Y., Suh, M. & Jung, D. Y. (2004). Inorg. Chem. 43, 245-250.  [ISI] [PubMed] [ChemPort]
Kiritsis, V., Michaelides, A., Skoulika, S., Golhen, S. & Ouahab, L. (1998). Inorg. Chem. 37, 3407-3410.  [ISI] [CrossRef] [ChemPort]
Lill, D. T., Brennessel, W. W., Borkowski, L. A., Gunning, N. S. & Cahill, C. L. (2005). Acta Cryst. E61, m1343-m1345.  [CrossRef] [details]
Moulton, B. & Zaworotko, M. J. (2001). Chem. Rev. 101, 1629-1658.  [ISI] [CrossRef] [PubMed] [ChemPort]
Sheldrick, G. M. (1996). SADABS. University of Göttingen, Germany.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Wood, T. E. & Thompson, A. (2007). Chem. Rev. 107, 1831-1861.  [ISI] [PubMed] [ChemPort]

Acta Cryst (2011). E67, m412  [ doi:10.1107/S1600536811007719 ]

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