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Volume 69 
Part 7 
Pages m358-m359  
July 2013  

Received 21 May 2013
Accepted 30 May 2013
Online 8 June 2013

Key indicators
Single-crystal X-ray study
T = 293 K
Mean [sigma](C-C) = 0.007 Å
R = 0.033
wR = 0.074
Data-to-parameter ratio = 11.7
Details
Open access

Poly[[tetraaquatetrakis[[mu]3-5-(pyridine-4-carboxamido)isophthalato]nickel(II)diterbium(III)] tetrahydrate]

aKey Laboratory of Functional Organometallic Materials, Hengyang Normal University, Department of Chemistry and Materials Science, Hengyang, Hunan 421008, People's Republic of China
Correspondence e-mail: hynuzch@163.com

In the title compound, {[NiTb2(C14H8N2O5)4(H2O)4]·4H2O}n, the TbIII ion is coordinated by one water molecule and seven O atoms from four 5-(pyridine-4-carboxamido)isophthalate (L) ligands in a distorted square-antiprismatic arrangement, while the NiII ion, lying on an inversion center, is six-coordinated in an octahedral geometry by two pyridine N atoms, two carboxylate O atoms and two water molecules. One L ligand bridges two TbIII ions and one NiII ion through two carboxylate groups and one pyridine N atom. The other L ligand bridges two TbIII ions and one NiII ion through two carboxylate groups, while the uncoordinating pyridine N atom is hydrogen bonded to an adjacent coordinating water molecule. Extensive O-H...O, N-H...O and O-H...N hydrogen bonds play an important role in stabilizing the crystal structure.

Related literature

For background to hetero-metallic complexes, see: Gu & Xue (2006[Gu, X.-J. & Xue, D.-F. (2006). Inorg. Chem. 45, 9257-9261.]); Liang et al. (2000[Liang, Y.-C., Cao, R., Su, W.-P., Hong, M.-C. & Zhang, W.-J. (2000). Angew. Chem. Int. Ed. 39, 3304-3307.]); Prasad et al. (2007[Prasad, T. K., Rajasekharan, M. V. & Costes, J. P. (2007). Angew. Chem. Int. Ed. 46, 2851-2854.]); Zhao et al. (2003[Zhao, B., Cheng, P., Dai, Y., Cheng, C., Liao, D.-Z., Yan, S.-P., Jiang, Z.-H. & Wang, G.-L. (2003). Angew. Chem. Int. Ed. 42, 934-936.], 2004[Zhao, B., Cheng, P., Chen, X.-Y., Cheng, C., Shi, W., Liao, D.-Z., Yan, S.-P. & Jiang, Z.-H. (2004). J. Am. Chem. Soc. 126, 3012-3013.]). For related structures, see: Chen et al. (2011[Chen, M.-S., Zhao, Y., Okamura, T.-A., Su, Z., Sun, W.-Y. & Ueyama, N. (2011). Supramol. Chem. 23, 117-124.]); Deng et al. (2011[Deng, Y.-F., Chen, M.-S., Zhang, C.-H. & Kuang, D.-Z. (2011). Acta Cryst. E67, m1431-m1432.]).

[Scheme 1]

Experimental

Crystal data
  • [NiTb2(C14H8N2O5)4(H2O)4]·4H2O

  • Mr = 1657.57

  • Triclinic, [P \overline 1]

  • a = 10.2347 (12) Å

  • b = 10.8608 (13) Å

  • c = 13.7452 (17) Å

  • [alpha] = 79.053 (2)°

  • [beta] = 78.745 (1)°

  • [gamma] = 86.326 (2)°

  • V = 1470.7 (3) Å3

  • Z = 1

  • Mo K[alpha] radiation

  • [mu] = 2.80 mm-1

  • T = 293 K

  • 0.22 × 0.16 × 0.08 mm

Data collection
  • Bruker APEX CCD diffractometer

  • Absorption correction: multi-scan (SADABS; Bruker, 2001[Bruker (2001). SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]) Tmin = 0.578, Tmax = 0.807

  • 7345 measured reflections

  • 5088 independent reflections

  • 4486 reflections with I > 2[sigma](I)

  • Rint = 0.045

Refinement
  • R[F2 > 2[sigma](F2)] = 0.033

  • wR(F2) = 0.074

  • S = 1.03

  • 5088 reflections

  • 434 parameters

  • 1 restraint

  • H atoms treated by a mixture of independent and constrained refinement

  • [Delta][rho]max = 1.24 e Å-3

  • [Delta][rho]min = -0.85 e Å-3

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
N1-H1...O4Wi 0.86 2.16 3.000 (6) 166
N3-H3...O4ii 0.86 2.17 2.958 (6) 153
O1W-H1WA...O6iii 0.82 2.24 2.988 (4) 151
O1W-H1WB...O3Wiv 0.85 2.04 2.763 (6) 143
O2W-H2WA...O3Wv 0.85 (6) 2.47 (6) 3.117 (7) 134 (5)
O2W-H2WB...N2vi 0.85 1.92 2.672 (6) 147
O3W-H3WC...O3iv 0.85 1.92 2.736 (5) 159
O3W-H3WD...O8vii 0.85 1.98 2.793 (5) 160
O4W-H4WA...O9viii 0.85 2.25 3.088 (6) 170
O4W-H4WB...O9ii 0.85 2.19 3.034 (5) 172
Symmetry codes: (i) -x+1, -y+1, -z+2; (ii) -x+2, -y+1, -z+2; (iii) -x+2, -y+1, -z+1; (iv) -x+1, -y+1, -z+1; (v) -x+1, -y, -z+1; (vi) x, y, z-1; (vii) x-1, y, z; (viii) x-1, y+1, z.

Data collection: SMART (Bruker, 2007[Bruker (2007). SMART and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 2007[Bruker (2007). SMART and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]); data reduction: SAINT; program(s) used to solve structure: SHELXTL (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); program(s) used to refine structure: SHELXTL; molecular graphics: XP in SHELXTL and DIAMOND (Brandenburg, 1999[Brandenburg, K. (1999). DIAMOND. Crystal Impact GbR, Bonn, Germany.]); software used to prepare material for publication: SHELXTL.


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: HY2627 ).


Acknowledgements

This work was supported by the Open Fund Project of Key Laboratories in Hunan Universities (grant No. 11 K009) and the Hunan Provincial Natural Science Foundation of China (grant No.13 J J6069).

References

Brandenburg, K. (1999). DIAMOND. Crystal Impact GbR, Bonn, Germany.
Bruker (2001). SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.
Bruker (2007). SMART and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.
Chen, M.-S., Zhao, Y., Okamura, T.-A., Su, Z., Sun, W.-Y. & Ueyama, N. (2011). Supramol. Chem. 23, 117-124.  [Web of Science] [CSD] [CrossRef] [ChemPort]
Deng, Y.-F., Chen, M.-S., Zhang, C.-H. & Kuang, D.-Z. (2011). Acta Cryst. E67, m1431-m1432.  [CSD] [CrossRef] [ChemPort] [IUCr Journals]
Gu, X.-J. & Xue, D.-F. (2006). Inorg. Chem. 45, 9257-9261.  [Web of Science] [CSD] [CrossRef] [PubMed] [ChemPort]
Liang, Y.-C., Cao, R., Su, W.-P., Hong, M.-C. & Zhang, W.-J. (2000). Angew. Chem. Int. Ed. 39, 3304-3307.  [Web of Science] [CrossRef] [ChemPort]
Prasad, T. K., Rajasekharan, M. V. & Costes, J. P. (2007). Angew. Chem. Int. Ed. 46, 2851-2854.  [Web of Science] [CSD] [CrossRef] [ChemPort]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [ChemPort] [IUCr Journals]
Zhao, B., Cheng, P., Chen, X.-Y., Cheng, C., Shi, W., Liao, D.-Z., Yan, S.-P. & Jiang, Z.-H. (2004). J. Am. Chem. Soc. 126, 3012-3013.  [Web of Science] [CSD] [CrossRef] [PubMed] [ChemPort]
Zhao, B., Cheng, P., Dai, Y., Cheng, C., Liao, D.-Z., Yan, S.-P., Jiang, Z.-H. & Wang, G.-L. (2003). Angew. Chem. Int. Ed. 42, 934-936.  [Web of Science] [CSD] [CrossRef] [ChemPort]


Acta Cryst (2013). E69, m358-m359   [ doi:10.1107/S1600536813014876 ]

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