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Volume 69 
Part 3 
Page m149  
March 2013  

Received 23 December 2012
Accepted 1 February 2013
Online 13 February 2013

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Key indicators
Single-crystal X-ray study
T = 295 K
Mean [sigma](C-C) = 0.006 Å
R = 0.021
wR = 0.049
Data-to-parameter ratio = 20.2
Details
Open access

Poly[tris(dimethylformamide)([mu]3-2,4,6-triiodobenzene-1,3,5-tricarboxylato)samarium(III)]

Bin Yan,a* Daopeng Shenga* and Yanzhao Yanga*

aKey Laboratory for Special Functional Aggregated Materials of the Education Ministry, School of Chemistry and Chemical Engineering, Shandong University, Jinan, Shandong 250100, People's Republic of China
Correspondence e-mail: wl-yanbin@163.com, sdp1214@gmail.com, yzhyang@sdu.edu.cn

In the title compound, [Sm(C9I3O6)(C3H7NO)3]n, the SmIII atom is coordinated by nine O atoms, viz. six carboxylate O atoms from three 2,4,6-triiodobenzene-1,3,5-tricarboxylate (I3BTC) ligands and three O atoms from three N,N-dimethylformamide (DMF) molecules. Each I3BTC ligand bridges three SmIII atoms, generating a three-dimensional metal-organic framework structure. The asymmetric unit contains one SmIII ion and one I3BTC anion, both situated on a threefold axis, and one DMF molecule in a general position.

Related literature

For applications of compounds with metal-organic framework structures (MOFs), see: Nakanishi & Tanaka (2007[Nakanishi, K. & Tanaka, N. (2007). Acc. Chem. Res. 40, 863-873.]); Phan et al. (2010[Phan, A., Doonan, C. J., Uribe-Romo, F. J., Knobler, C. B., O'Keeffe, M. & Yaghi, O. M. (2010). Acc. Chem. Res. 43, 58-67.]); Suib et al. (2008[Suib, S. L. (2008). Acc. Chem. Res. 41, 479-487.]). For related structures, see: Daiguebonne et al. (2002[Daiguebonne, C., Gerault, Y., Le Dret, F., Guillou, O. & Boubekeur, K. (2002). J. Alloys Compd, 344, 179-185.]); Han et al. (2012[Han, Y.-F., Fu, L.-S., Mafra, L. & Shi, F.-N. (2012). J. Solid State Chem. 186, 165-170.]); Lu et al. (2008[Lu, J.-H., Xu, H.-W., Liu, Y., Zhao, Y.-S., Daemen, L. L., Brown, C., Timofeeva, T. V., Ma, S.-Q. & Zhou, H.-C. (2008). J. Am. Chem. Soc. 130, 9626-9627.]); Serre et al. (2004[Serre, C., Millange, F., Thouvenot, C., Gardant, N., Pelle, F. & Ferey, G. (2004). J. Mater. Chem. 14, 1540-1543.]).

[Scheme 1]

Experimental

Crystal data

  • [Sm(C9I3O6)(C3H7NO)3]

  • Mr = 954.43

  • Cubic, P 21 3

  • a = 14.1341 (16) Å

  • V = 2823.6 (6) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 5.41 mm-1

  • T = 295 K

  • 0.16 × 0.15 × 0.15 mm
Data collection

  • Bruker APEXII CCD area-detector diffractometer

  • Absorption correction: multi-scan (SADABS; Bruker, 2005[Bruker (2005). APEX2, SADABS and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]) Tmin = 0.478, Tmax = 0.498

  • 5119 measured reflections

  • 2143 independent reflections

  • 2026 reflections with I > 2[sigma](I)

  • Rint = 0.020
Refinement

  • R[F2 > 2[sigma](F2)] = 0.021

  • wR(F2) = 0.049

  • S = 1.03

  • 2143 reflections

  • 106 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 0.72 e Å-3

  • [Delta][rho]min = -0.62 e Å-3

  • Absolute structure: Flack (1983[Flack, H. D. (1983). Acta Cryst. A39, 876-881.]), 943 Friedel pairs

  • Flack parameter: 0.02 (2)

Data collection: APEX2 (Bruker, 2005[Bruker (2005). APEX2, SADABS and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 2005[Bruker (2005). APEX2, SADABS and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]); data reduction: SAINT; program(s) used to solve structure: SIR97 (Altomare et al., 1999[Altomare, A., Burla, M. C., Camalli, M., Cascarano, G. L., Giacovazzo, C., Guagliardi, A., Moliterni, A. G. G., Polidori, G. & Spagna, R. (1999). J. Appl. Cryst. 32, 115-119.]); 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: WinGX (Farrugia, 2012[Farrugia, L. J. (2012). J. Appl. Cryst. 45, 849-854.]).

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: CV5378 ).

Acknowledgements

The authors acknowledge financial support from the National Natural Science Foundation of China (grant Nos. 21276142 and 21076115).

References

Altomare, A., Burla, M. C., Camalli, M., Cascarano, G. L., Giacovazzo, C., Guagliardi, A., Moliterni, A. G. G., Polidori, G. & Spagna, R. (1999). J. Appl. Cryst. 32, 115-119.  [ISI] [CrossRef] [ChemPort] [details]
Bruker (2005). APEX2, SADABS and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.
Daiguebonne, C., Gerault, Y., Le Dret, F., Guillou, O. & Boubekeur, K. (2002). J. Alloys Compd, 344, 179-185.  [ISI] [CSD] [CrossRef] [ChemPort]
Farrugia, L. J. (2012). J. Appl. Cryst. 45, 849-854.  [ISI] [CrossRef] [ChemPort] [details]
Flack, H. D. (1983). Acta Cryst. A39, 876-881.  [CrossRef] [details]
Han, Y.-F., Fu, L.-S., Mafra, L. & Shi, F.-N. (2012). J. Solid State Chem. 186, 165-170.  [ISI] [CSD] [CrossRef] [ChemPort]
Lu, J.-H., Xu, H.-W., Liu, Y., Zhao, Y.-S., Daemen, L. L., Brown, C., Timofeeva, T. V., Ma, S.-Q. & Zhou, H.-C. (2008). J. Am. Chem. Soc. 130, 9626-9627.  [ISI] [PubMed]
Nakanishi, K. & Tanaka, N. (2007). Acc. Chem. Res. 40, 863-873.  [ISI] [CrossRef] [PubMed] [ChemPort]
Phan, A., Doonan, C. J., Uribe-Romo, F. J., Knobler, C. B., O'Keeffe, M. & Yaghi, O. M. (2010). Acc. Chem. Res. 43, 58-67.  [ISI] [CrossRef] [PubMed] [ChemPort]
Serre, C., Millange, F., Thouvenot, C., Gardant, N., Pelle, F. & Ferey, G. (2004). J. Mater. Chem. 14, 1540-1543.  [ISI] [CrossRef] [ChemPort]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Suib, S. L. (2008). Acc. Chem. Res. 41, 479-487.  [ISI] [CrossRef] [PubMed] [ChemPort]

Acta Cryst (2013). E69, m149  [ doi:10.1107/S1600536813003358 ]

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