Poly[(acetato-κ2O,O′)aqua­(μ4-1H-benzimidazole-5,6-dicarboxyl­ato-κ6N3:O5,O5′:O5,O6:O6′)cerium(III)]

Chen, J.; Wang, Y.; Zheng, C.; Luo, Y.

doi:10.1107/S1600536812017503

Volume 68
Part 5
Page m673
May 2012

Received 20 March 2012
Accepted 19 April 2012
Online 25 April 2012

Key indicators
Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.005 Å
R = 0.023
wR = 0.054
Data-to-parameter ratio = 11.4
Details

Poly[(acetato-²O,O')aqua(₄-1H-benzimidazole-5,6-dicarboxylato-⁶N³:O⁵,O^5':O⁵,O⁶:O^6')cerium(III)]

Jinhua Chen,^a Yuezhu Wang,^a Chun Zheng ^a and Yifan Luo ^a ^*

^aSchool of Chemistry and Environment, South China Normal University, Guangzhou 510006, People's Republic of China
Correspondence e-mail: luoyf2010@yahoo.com.cn

In the title compound, [Ce(C₉H₄N₂O₄)(C₂H₃O₂)(H₂O)]_n, the Ce^III ion is coordinated by five O atoms and one N atom from four 1H-benzimidazole-5,6-dicarboxylato (L) ligands and by two O atoms from an acetate ligand and one aqua ligand, forming a slightly distorted tricapped trigonal-prismatic geometry. The L ligands are bridging, forming a layered polymer parallel to (010). In the crystal, O-HO and N-HO hydrogen bonds connect the polymer layers into a three-dimensional network.

Related literature

For background to 1H-benzimidazole-5,6-dicarboxylate complexes and for related structures, see: Gao et al. (2008); Yao et al. (2008); Song, Wang, Hu et al. (2009); Song, Wang, Li et al. (2009).

Experimental

Crystal data

[Ce(C₉H₄N₂O₄)(C₂H₃O₂)(H₂O)]
M_r = 421.32
Triclinic, $[P \overline 1]$
a = 7.4577 (15) Å
b = 9.0399 (19) Å
c = 9.792 (2) Å
= 86.895 (2)°
= 86.510 (2)°
= 84.707 (2)°
V = 655.3 (2) Å³
Z = 2
Mo K radiation
= 3.51 mm^-1
T = 293 K
0.17 × 0.13 × 0.11 mm

Data collection

Bruker APEXII CCD diffractometer
Absorption correction: multi-scan (SADABS; Bruker, 2005) T_min = 0.584, T_max = 0.680
3390 measured reflections
2366 independent reflections
2194 reflections with I > 2(I)
R_int = 0.016

Refinement

R[F² > 2(F²)] = 0.023
wR(F²) = 0.054
S = 1.05
2321 reflections
203 parameters
130 restraints
H atoms treated by a mixture of independent and constrained refinement
_max = 0.74 e Å^-3
_min = -0.59 e Å^-3

Table 1
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
N2-H2O5ⁱ	0.86 (3)	1.93 (3)	2.716 (4)	153 (4)
O7-H7AO3ⁱⁱ	0.84 (4)	2.05 (4)	2.850 (4)	158 (3)
O7-H7BO6ⁱⁱⁱ	0.83 (3)	1.95 (3)	2.777 (4)	176 (6)
Symmetry codes: (i) x-1, y, z; (ii) -x+1, -y+1, -z+2; (iii) -x+1, -y, -z+2.

Data collection: APEX2 (Bruker, 2005); cell refinement: SAINT (Bruker, 2005); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: ORTEP-3 (Farrugia, 1997); software used to prepare material for publication: SHELXL97 and PLATON (Spek, 2009).

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: LH5440 ).

Acknowledgements

The authors acknowledge the Chan Xue Yan Cooperative Special Project of Guangdong Province and the Ministry of Science and Technology of the People's Republic of China (project No. 2010B090400184) and the Special Project of Science and Technology of Guangzhou City (project No. 2011 J4300063).

References

Bruker (2005). APEX2, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.
Farrugia, L. J. (1997). J. Appl. Cryst. 30, 565.
Gao, Q., Gao, W.-H., Zhang, C.-Y. & Xie, Y.-B. (2008). Acta Cryst. E64, m928.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
Song, W.-D., Wang, H., Hu, S.-W., Qin, P.-W. & Li, S.-J. (2009). Acta Cryst. E65, m701.
Song, W.-D., Wang, H., Li, S.-J., Qin, P.-W. & Hu, S.-W. (2009). Acta Cryst. E65, m702.
Spek, A. L. (2009). Acta Cryst. D65, 148-155.
Yao, Y.-L., Che, Y.-X. & Zheng, J.-M. (2008). Cryst. Growth Des. 8, 2299-2306.