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Volume 68 
Part 12 
Pages m1503-m1504  
December 2012  

Received 10 September 2012
Accepted 6 November 2012
Online 17 November 2012

Key indicators
Single-crystal X-ray study
T = 293 K
Mean [sigma](C-C) = 0.005 Å
R = 0.036
wR = 0.086
Data-to-parameter ratio = 13.2
Details
Open access

[mu]-2,5-Dihydroxyterephthalato-bis[triaqua(1,10-phenanthroline)zinc] dihydroxyterephthalate

aDepartment of Information & Technology, Jilin Normal University, Siping 136000, People's Republic of China, and bDepartment of Chemistry, Jilin Normal University, Siping 136000, People's Republic of China
Correspondence e-mail: chuanbl@gmail.com

In the title compound, [Zn2(C8H4O6)(C12H8N2)2(H2O)6](C8H4O6), the complete ions of both the binuclear dication and the dianion are generated by crystallographic inversion symmetry. The Zn atom is bonded to an N,N'-bidentate phenanthroline ligand, three water moleules and an O-monodenate 2,5-dihydroxyterephthalate dianion. In the resulting distorted octahedral ZnN2O4 coordination polyhedron, the water O atoms are in a mer orientation. Two intramolecular O-H...O hydrogen bonds occur in the bridging 2,5-dihydroxyterephthalate dianion within the complex cation and also in the free dianion. An intramolecular Ow-H...O (w = water) hydrogen bond also occurs within the dication. In the crystal, O-H...O hydrogen bonds link the component ions into a three-dimensional network.

Related literature

For a related structure, see: Sun et al. (2007[Sun, Y. G., Gao, E. J. & Wei, D. Z. (2007). Inorg. Chem. Commun. 10, 467-470.]). For background to the applications of coordination polymers, see: Perry et al. (2009[Perry, J. J. IV, Perman, J. A. & Zaworotko, M. J. (2009). Chem. Soc. Rev. 38, 1400-1417.]).

[Scheme 1]

Experimental

Crystal data
  • [Zn2(C8H4O6)(C12H8N2)2(H2O)6](C8H4O6)

  • Mr = 991.46

  • Triclinic, [P \overline 1]

  • a = 8.765 (5) Å

  • b = 10.697 (5) Å

  • c = 11.062 (5) Å

  • [alpha] = 106.994 (5)°

  • [beta] = 92.226 (5)°

  • [gamma] = 90.977 (5)°

  • V = 990.7 (9) Å3

  • Z = 1

  • Mo K[alpha] radiation

  • [mu] = 1.30 mm-1

  • T = 293 K

  • 0.25 × 0.18 × 0.15 mm

Data collection
  • Bruker SMART APEXII CCD diffractometer

  • Absorption correction: multi-scan (SADABS; Bruker, 2002[Bruker (2002). APEX2, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]) Tmin = 0.737, Tmax = 0.829

  • 5446 measured reflections

  • 3824 independent reflections

  • 3205 reflections with I > 2[sigma](I)

  • Rint = 0.019

Refinement
  • R[F2 > 2[sigma](F2)] = 0.036

  • wR(F2) = 0.086

  • S = 1.04

  • 3824 reflections

  • 289 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 0.33 e Å-3

  • [Delta][rho]min = -0.29 e Å-3

Table 1
Selected bond lengths (Å)

Zn1-O1 2.0181 (19)
Zn1-O1W 2.184 (2)
Zn1-O2W 2.1581 (19)
Zn1-O3W 2.113 (2)
Zn1-N1 2.124 (2)
Zn1-N2 2.156 (2)

Table 2
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
O1W-H1WA...O3i 0.97 1.95 2.902 (3) 170
O1W-H1WB...O2Wii 0.92 2.01 2.911 (3) 168
O2W-H2WA...O2 0.93 1.75 2.663 (3) 166
O3-H3A...O2iii 0.82 1.84 2.562 (3) 147
O2W-H2WB...O5iv 0.91 1.80 2.692 (3) 166
O3W-H3WA...O4 0.89 1.85 2.695 (3) 158
O3W-H3WB...O4iv 0.83 1.82 2.650 (3) 175
O6-H6A...O5v 0.82 1.84 2.566 (3) 146
Symmetry codes: (i) -x+1, -y, -z; (ii) -x+1, -y+1, -z; (iii) -x+2, -y, -z; (iv) -x+1, -y+1, -z+1; (v) -x+1, -y, -z+1.

Data collection: APEX2 (Bruker, 2002[Bruker (2002). APEX2, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 2002[Bruker (2002). APEX2, SAINT and SADABS. 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: SHELXL97 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); molecular graphics: DIAMOND (Brandenburg, 1999[Brandenburg, K. (1999). DIAMOND. Crystal Impact BbR, Bonn, Germany.]); software used to prepare material for publication: SHELXTL.


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: HB6960 ).


Acknowledgements

The authors thank Jilin Normal University for supporting this study.

References

Brandenburg, K. (1999). DIAMOND. Crystal Impact BbR, Bonn, Germany.
Bruker (2002). APEX2, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.
Perry, J. J. IV, Perman, J. A. & Zaworotko, M. J. (2009). Chem. Soc. Rev. 38, 1400-1417.  [ISI] [PubMed] [ChemPort]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Sun, Y. G., Gao, E. J. & Wei, D. Z. (2007). Inorg. Chem. Commun. 10, 467-470.  [ISI] [CSD] [CrossRef] [ChemPort]


Acta Cryst (2012). E68, m1503-m1504   [ doi:10.1107/S1600536812045837 ]

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