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Volume 68 
Part 5 
Page m530  
May 2012  

Received 16 March 2012
Accepted 28 March 2012
Online 4 April 2012

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Key indicators
Single-crystal X-ray study
T = 293 K
Mean [sigma](C-C) = 0.006 Å
R = 0.033
wR = 0.086
Data-to-parameter ratio = 12.0
Details
Open access

Poly[[diaqua[[mu]2-3-carboxy-5-(pyridine-4-carboxamido)benzoato][[mu]4-5-(pyridine-4-carboxamido)isophthalato]cerium(III)] monohydrate]

Yi-Fang Denga* and Xue Niea

aDepartment of Chemistry and Materials Science, Hengyang Normal University, Hengyang 421008, People's Republic of China
Correspondence e-mail: yifang7124@163.com

In the title compound, {[Ce(C14H9N2O5)(C14H8N2O5)(H2O)2]·H2O}n, three carboxyl groups of two independent isophthalate anions are deprotonated and they bridge the CeIII cations, forming a two-dimensional polymeric structure parallel to (001); another carboxyl group is not deprotonated and links with the adjacent pyridine ring via an O-H...N hydrogen bond. The CeIII cation is coordinated by six O atoms from carboxyl groups and two O atoms from coordinated water molecules in a distorted square-antiprismatic arrangement. Extensive O-H...O and O-H...N hydrogen bonding occurs in the crystal structure.

Related literature

For applications of lanthanide complexes with carboxyl ligands, see: Chin et al. (1994[Chin, K. O. A., Morrow, J. R., Lake, C. H. & Churchill, M. L. (1994). Inorg. Chem. 33, 656-664.]); Singh et al. (2002[Singh, U. P., Tyagi, S., Sharma, C. L., Gorner, H. & Weyhermuller, T. (2002). J. Chem. Soc. Dalton Trans. pp. 4464-4470.]). For related complexes, see: Chen et al. (2011[Chen, M.-S., Fan, J., Okamura, T., Lv, G.-C. & Sun, W.-Y. (2011). Inorg. Chim. Acta, 366, 268-274.]); Deng (2011[Deng, Y.-F. (2011). Acta Cryst. E67, m1298.]); Qiu et al. (2007[Qiu, Y., Liu, H., Ling, Y., Deng, H., Zeng, R., Zhou, G. & Zeller, M. (2007). Inorg. Chem. Commun. 10, 1399-1403.]); Gubina et al. (2000[Gubina, K. E., Shatrava, J. A., Ocvchynnikov, V. A. & Amirkhanov, V. M. (2000). Polyhedron, 19, 2203-2209.]); Wang et al. (2003[Wang, R.-F., Wang, S.-P. & Zhang, J.-J. (2003). J. Mol. Struct. 648, 151-158.]).

[Scheme 1]

Experimental

Crystal data

  • [Ce(C14H9N2O5)(C14H8N2O5)(H2O)2]·H2O

  • Mr = 763.62

  • Triclinic, [P \overline 1]

  • a = 9.6742 (8) Å

  • b = 10.6187 (8) Å

  • c = 15.8542 (12) Å

  • [alpha] = 81.443 (1)°

  • [beta] = 78.753 (2)°

  • [gamma] = 64.166 (2)°

  • V = 1433.98 (19) Å3

  • Z = 2

  • Mo K[alpha] radiation

  • [mu] = 1.67 mm-1

  • T = 293 K

  • 0.18 × 0.14 × 0.08 mm
Data collection

  • Bruker APEXII CCD diffractometer

  • Absorption correction: multi-scan (SADABS; Bruker, 2001[Bruker (2001). SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]) Tmin = 0.754, Tmax = 0.878

  • 7189 measured reflections

  • 4972 independent reflections

  • 4669 reflections with I > 2[sigma](I)

  • Rint = 0.071
Refinement

  • R[F2 > 2[sigma](F2)] = 0.033

  • wR(F2) = 0.086

  • S = 1.04

  • 4972 reflections

  • 416 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 1.26 e Å-3

  • [Delta][rho]min = -1.23 e Å-3

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
O1W-H1WA...N2i 0.85 2.21 2.756 (5) 122
O2W-H2WB...O1Wii 0.85 2.53 3.297 (5) 150
O2W-H2WA...O3Wiii 0.85 2.07 2.728 (6) 133
O3W-H3WA...O10iv 0.85 2.06 2.856 (8) 157
O3W-H3WB...O5v 0.85 1.92 2.742 (6) 161
O3-H3...N4vi 0.82 1.81 2.583 (5) 156
Symmetry codes: (i) -x+1, -y+2, -z; (ii) -x+2, -y+2, -z+1; (iii) x, y+1, z; (iv) x-1, y, z; (v) -x+1, -y+1, -z+1; (vi) -x+3, -y+2, -z+1.

Data collection: APEX2 (Bruker, 2007[Bruker (2007). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 2007[Bruker (2007). APEX2 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: SHELXTL; software used to prepare material for publication: SHELXTL.

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: XU5485 ).

Acknowledgements

This work was supported by the Hengyang Bureau of Science & Technology, China (grant No. 2009 K J28).

References

Bruker (2001). SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.
Bruker (2007). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.
Chen, M.-S., Fan, J., Okamura, T., Lv, G.-C. & Sun, W.-Y. (2011). Inorg. Chim. Acta, 366, 268-274.  [ISI] [CSD] [CrossRef] [ChemPort]
Chin, K. O. A., Morrow, J. R., Lake, C. H. & Churchill, M. L. (1994). Inorg. Chem. 33, 656-664.  [CrossRef] [ChemPort] [ISI]
Deng, Y.-F. (2011). Acta Cryst. E67, m1298.  [CSD] [CrossRef] [details]
Gubina, K. E., Shatrava, J. A., Ocvchynnikov, V. A. & Amirkhanov, V. M. (2000). Polyhedron, 19, 2203-2209.  [ISI] [CSD] [CrossRef] [ChemPort]
Qiu, Y., Liu, H., Ling, Y., Deng, H., Zeng, R., Zhou, G. & Zeller, M. (2007). Inorg. Chem. Commun. 10, 1399-1403.  [ISI] [CSD] [CrossRef] [ChemPort]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Singh, U. P., Tyagi, S., Sharma, C. L., Gorner, H. & Weyhermuller, T. (2002). J. Chem. Soc. Dalton Trans. pp. 4464-4470.  [CSD] [CrossRef]
Wang, R.-F., Wang, S.-P. & Zhang, J.-J. (2003). J. Mol. Struct. 648, 151-158.  [ISI] [CrossRef] [ChemPort]

Acta Cryst (2012). E68, m530  [ doi:10.1107/S1600536812013402 ]

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