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Volume 69 
Part 11 
Page m625  
November 2013  

Received 18 October 2013
Accepted 25 October 2013
Online 31 October 2013

Key indicators
Single-crystal X-ray study
T = 298 K
Mean [sigma](C-C) = 0.003 Å
R = 0.035
wR = 0.096
Data-to-parameter ratio = 16.3
Details
Open access

Bis([mu]-hydroxido-[kappa]2O:O)bis[bis(5-car­boxy­pyridine-2-carboxyl­ato-[kappa]2N,O2)iron(III)] dihydrate

aQinghai HuangHe Hydropower Development Co. Ltd, New Energy Branch, Xining, 810008, People's Republic of China
Correspondence e-mail: caowh2000@163.com

The complete binuclear complex in [Fe2(C7H4NO4)4(OH)2]·2H2O, is generated by the application twofold symmetry. The FeIII atom is coordinated by the O atoms of two bridging hydroxyl groups and by two N and two O atoms from two pyridine-2,5-di­carboxyl­ato ligands, forming a distorted octa­hedral geometry. The Fe...Fe separation within the dinuclear complex is 3.0657 (4) Å. In the crystal, O-H...O and C-H...O hydrogen-bonding inter­actions connect the mol­ecules into a three-dimensional supra­molecular network.

Related literature

For background to the coordination modes of the pyridine-2,5-di­carboxyl­ate ligand, see: Zhang et al. (2005[Zhang, X., Huang, D., Chen, C., Liu, Q., Liao, D. & Li, L. (2005). Inorg. Chem. Commun. 8, 22-26.], 2006[Zhang, C.-X., Zhang, Y. & Yang, Y. (2006). J. Coord. Chem. 59, 389-393.]); Liang et al. (2000[Liang, Y., Cao, R., Su, W., Hong, M.-C. & Zhang, W. (2000). Angew. Chem. Int. Ed. 39, 3304-3307.]); Wibowo et al. (2011[Wibowo, A. C., Smith, M. D. & zur Loye, H.-C. (2011). Cryst. Growth Des. 11, 4449-4457.]). For iron complexes of the pyridine-2,5-di­carboxyl­ate ligand, see: Shi et al. (2011[Shi, Z., Li, L., Niu, S., Jin, J., Chi, Y., Zhang, L., Liu, J. & Xing, Y. (2011). Inorg. Chim. Acta, 368, 101-110.]); Xu et al. (2004[Xu, Y., Han, L., Lin, Z.-Z., Liu, C.-P., Yuan, D.-Q., Zhou, Y.-F. & Hong, M.-C. (2004). Eur. J. Inorg. Chem. 2004, 4457-4462.]); Gao et al. (2005[Gao, H.-L., Cheng, C., Ding, B., Shi, W., Song, H.-B., Cheng, P., Liao, D.-Z., Yan, S.-P. & Jiang, Z.-H. (2005). J. Mol. Struct. 738, 105-111.]).

[Scheme 1]

Experimental

Crystal data
  • [Fe2(C7H4NO4)4(OH)2]·2H2O

  • Mr = 846.20

  • Monoclinic, P 2/c

  • a = 7.6130 (7) Å

  • b = 14.2716 (14) Å

  • c = 16.2594 (13) Å

  • [beta] = 114.556 (4)°

  • V = 1606.8 (3) Å3

  • Z = 2

  • Mo K[alpha] radiation

  • [mu] = 1.00 mm-1

  • T = 298 K

  • 0.28 × 0.25 × 0.20 mm

Data collection
  • Bruker APEXII CCD diffractometer

  • Absorption correction: multi-scan (SADABS; Bruker, 2005[Bruker (2005). APEX2, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]) Tmin = 0.767, Tmax = 0.825

  • 11029 measured reflections

  • 3972 independent reflections

  • 3224 reflections with I > 2[sigma](I)

  • Rint = 0.026

Refinement
  • R[F2 > 2[sigma](F2)] = 0.035

  • wR(F2) = 0.096

  • S = 1.01

  • 3972 reflections

  • 244 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 0.37 e Å-3

  • [Delta][rho]min = -0.47 e Å-3

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
O8-H8...O2i 0.82 1.98 2.761 (2) 160
O4-H4...O2ii 0.85 1.80 2.643 (2) 175
O9-H9A...O6iii 0.86 1.91 2.735 (2) 162
O10-H10A...O5 0.87 2.34 2.914 (3) 124
O10-H10B...O7iv 0.88 2.02 2.865 (3) 161
C3-H3...O7v 0.93 2.36 3.223 (3) 155
C5-H5...O10iii 0.93 2.54 3.465 (3) 174
C9-H9...O8vi 0.93 2.53 3.425 (3) 162
Symmetry codes: (i) -x+2, -y, -z; (ii) [x, -y+1, z+{\script{1\over 2}}]; (iii) [-x+1, y, -z+{\script{1\over 2}}]; (iv) -x+1, -y, -z; (v) x, y+1, z; (vi) x-1, y, z.

Data collection: APEX2 (Bruker, 2005[Bruker (2005). APEX2, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 2005[Bruker (2005). APEX2, SAINT 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: RZ5089 ).


Acknowledgements

This work was supported financially by the HuangHe Hydro­power Development Co. Ltd, Qinghai.

References

Bruker (2005). APEX2, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.
Gao, H.-L., Cheng, C., Ding, B., Shi, W., Song, H.-B., Cheng, P., Liao, D.-Z., Yan, S.-P. & Jiang, Z.-H. (2005). J. Mol. Struct. 738, 105-111.  [Web of Science] [CSD] [CrossRef] [ChemPort]
Liang, Y., Cao, R., Su, W., Hong, M.-C. & Zhang, W. (2000). Angew. Chem. Int. Ed. 39, 3304-3307.  [ChemPort]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [ChemPort] [IUCr Journals]
Shi, Z., Li, L., Niu, S., Jin, J., Chi, Y., Zhang, L., Liu, J. & Xing, Y. (2011). Inorg. Chim. Acta, 368, 101-110.  [CrossRef] [ChemPort]
Wibowo, A. C., Smith, M. D. & zur Loye, H.-C. (2011). Cryst. Growth Des. 11, 4449-4457.  [CrossRef] [ChemPort]
Xu, Y., Han, L., Lin, Z.-Z., Liu, C.-P., Yuan, D.-Q., Zhou, Y.-F. & Hong, M.-C. (2004). Eur. J. Inorg. Chem. 2004, 4457-4462.  [CrossRef]
Zhang, X., Huang, D., Chen, C., Liu, Q., Liao, D. & Li, L. (2005). Inorg. Chem. Commun. 8, 22-26.  [Web of Science] [CSD] [CrossRef] [ChemPort]
Zhang, C.-X., Zhang, Y. & Yang, Y. (2006). J. Coord. Chem. 59, 389-393.  [CrossRef] [ChemPort]


Acta Cryst (2013). E69, m625  [ doi:10.1107/S1600536813029449 ]

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