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Volume 69 
Part 11 
Pages m586-m587  
November 2013  

Received 4 September 2013
Accepted 24 September 2013
Online 5 October 2013

Key indicators
Single-crystal X-ray study
T = 296 K
Mean [sigma](C-C) = 0.004 Å
R = 0.025
wR = 0.059
Data-to-parameter ratio = 13.0
Details
Open access

catena-Poly[[di­aqua­[[mu]2-4-(4-carb­oxy­phen­oxy)benzoato]([mu]2-4,4'-oxydibenzo­ato)praseodymium(III)] monohydrate]

aSchool of Chemical and Material Engineering, Jiangnan University, 1800 Lihu Road, Wuxi, Jiangsu Province 214122, People's Republic of China
Correspondence e-mail: cgzheng@jiangnan.edu.cn

In the title compound, {[Pr(C14H8O5)(C14H9O5)(H2O)2]·H2O}n, the PrIII cation is eight-coordinated by six carboxyl O atoms from both a monoanionic 4-(4-carb­oxy­phen­oxy)benzoate and a dianionic 4,4'-oxydibenzoate ligand (four bridging with two from a bidentate chelate inter­action), and two O-atom donors from water mol­ecules. A single water mol­ecule of solvation is also present. The complex units are linked through carboxyl O:O' bridges giving a two-dimensional sheet polymer lying parallel to (001). An overall three-dimensional network structure is generated through inter­molecular carb­oxy­lic acid and water O-H...O hydrogen bonds and weak C-H...O inter­actions.

Related literature

For the potential properties of metal-organic complexes involving polycarboxyl­ate ligands, see: Li et al. (2011[Li, X. X., Wei, Z. Q., Yue, S. T., Wang, N., Mo, H. H. & Liu, Y. L. (2011). J. Chem. Crystallogr. 41, 757-761.]); Wang et al. (2004[Wang, Y. B., Wang, Z. M., Yan, C. H. & Jin, L. P. (2004). J. Mol. Struct. 692, 177-186.], 2005[Wang, Y. B., Sun, C. Y., Zheng, X. J., Gao, S., Lu, S. Z. & Jin, L. P. (2005). Polyhedron, 24, 823-830.]); Lin et al. (2010[Lin, Y. W., Jian, B. R., Huang, S. C., Huang, C. H. & Hsu, K. F. (2010). Inorg. Chem., 49, 2316-2324.]); Sun et al. (2009[Sun, C. Y., Zheng, X. B., Li, L. C. & Jin, L. P. (2009). Inorg. Chim. Acta, 362, 325-330.]); Xu et al. (2011[Xu, J., Su, W. P. & Hong, M. C. (2011). Inorg. Chem. Commun. 14, 1794-1797.]); Lyszczek & Mazur (2012[Lyszczek, R. & Mazur, L. (2012). Inorg. Chem. Commun. 15, 121-125.]). For similar structures, see: Thirumurugan & Natarajan (2004[Thirumurugan, A. & Natarajan, S. (2004). Eur. J. Inorg. Chem. pp. 762-770.]); Zhang et al. (2005[Zhang, J. J., Hu, S. M., Xiang, S. C., Wang, L. S., Li, Y. M., Zhang, H. S. & Wu, X. T. (2005). J. Mol. Struct. 748, 129-136.]).

[Scheme 1]

Experimental

Crystal data
  • [Pr(C14H8O5)(C14H9O5)(H2O)2]·H2O

  • Mr = 708.37

  • Monoclinic, C 2/c

  • a = 27.3970 (17) Å

  • b = 9.5764 (6) Å

  • c = 21.6754 (14) Å

  • [beta] = 97.433 (1)°

  • V = 5639.1 (6) Å3

  • Z = 8

  • Mo K[alpha] radiation

  • [mu] = 1.80 mm-1

  • T = 296 K

  • 0.21 × 0.16 × 0.15 mm

Data collection
  • Bruker SMART CCD area-detector diffractometer

  • Absorption correction: multi-scan (SADABS; Bruker, 1997[Bruker (1997). SAINT, SMART and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]) Tmin = 0.704, Tmax = 0.774

  • 20449 measured reflections

  • 4972 independent reflections

  • 4498 reflections with I > 2[sigma](I)

  • Rint = 0.026

Refinement
  • R[F2 > 2[sigma](F2)] = 0.025

  • wR(F2) = 0.059

  • S = 1.08

  • 4972 reflections

  • 381 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 0.59 e Å-3

  • [Delta][rho]min = -0.51 e Å-3

Table 1
Selected bond lengths (Å)

Pr1-O9i 2.3983 (18)
Pr1-O5 2.4105 (19)
Pr1-O12ii 2.412 (2)
Pr1-O8iii 2.4692 (19)
Pr1-O11 2.4719 (18)
Pr1-O10 2.5152 (19)
Pr1-O1 2.5163 (19)
Pr1-O7iii 2.6534 (19)
Symmetry codes: (i) -x, -y+1, -z; (ii) -x, -y, -z; (iii) [x-{\script{1\over 2}}, y+{\script{1\over 2}}, z].

Table 2
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
O3-H3...O1iv 0.82 2.02 2.822 (3) 166
O10-H10B...O2v 0.85 2.09 2.880 (3) 154
O11-H11A...O4vi 0.84 1.84 2.683 (3) 176
O11-H11B...O8vii 0.84 1.89 2.707 (3) 163
C9-H9...O3vi 0.93 2.48 3.337 (4) 153
C25-H25...O13iii 0.93 2.59 3.454 (7) 155
Symmetry codes: (iii) [x-{\script{1\over 2}}, y+{\script{1\over 2}}, z]; (iv) [-x+{\script{1\over 2}}, y+{\script{1\over 2}}, -z+{\script{1\over 2}}]; (v) [x, -y+1, z-{\script{1\over 2}}]; (vi) [-x+{\script{1\over 2}}, y-{\script{1\over 2}}, -z+{\script{1\over 2}}]; (vii) [-x+{\script{1\over 2}}, -y+{\script{1\over 2}}, -z].

Data collection: SMART (Bruker, 1997[Bruker (1997). SAINT, SMART and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 1997[Bruker (1997). SAINT, SMART 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: ZS2278 ).


Acknowledgements

This work was supported by the Research Institute of Element-Organic Chemistry of the East China Institute of Technology

References

Bruker (1997). SAINT, SMART and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.
Li, X. X., Wei, Z. Q., Yue, S. T., Wang, N., Mo, H. H. & Liu, Y. L. (2011). J. Chem. Crystallogr. 41, 757-761.  [Web of Science] [CSD] [CrossRef] [ChemPort]
Lin, Y. W., Jian, B. R., Huang, S. C., Huang, C. H. & Hsu, K. F. (2010). Inorg. Chem., 49, 2316-2324.  [Web of Science] [CSD] [CrossRef] [ChemPort] [PubMed]
Lyszczek, R. & Mazur, L. (2012). Inorg. Chem. Commun. 15, 121-125.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [ChemPort] [IUCr Journals]
Sun, C. Y., Zheng, X. B., Li, L. C. & Jin, L. P. (2009). Inorg. Chim. Acta, 362, 325-330.  [Web of Science] [CSD] [CrossRef] [ChemPort]
Thirumurugan, A. & Natarajan, S. (2004). Eur. J. Inorg. Chem. pp. 762-770.  [CSD] [CrossRef]
Wang, Y. B., Sun, C. Y., Zheng, X. J., Gao, S., Lu, S. Z. & Jin, L. P. (2005). Polyhedron, 24, 823-830.  [Web of Science] [CSD] [CrossRef]
Wang, Y. B., Wang, Z. M., Yan, C. H. & Jin, L. P. (2004). J. Mol. Struct. 692, 177-186.  [Web of Science] [CSD] [CrossRef] [ChemPort]
Xu, J., Su, W. P. & Hong, M. C. (2011). Inorg. Chem. Commun. 14, 1794-1797.  [Web of Science] [CSD] [CrossRef] [ChemPort]
Zhang, J. J., Hu, S. M., Xiang, S. C., Wang, L. S., Li, Y. M., Zhang, H. S. & Wu, X. T. (2005). J. Mol. Struct. 748, 129-136.  [Web of Science] [CSD] [CrossRef] [ChemPort]


Acta Cryst (2013). E69, m586-m587   [ doi:10.1107/S1600536813026421 ]

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