[Journal logo]

Volume 69 
Part 3 
Page m136  
March 2013  

Received 19 May 2012
Accepted 15 June 2012
Online 6 February 2013

Key indicators
Single-crystal X-ray study
T = 296 K
Mean [sigma](C-C) = 0.004 Å
R = 0.032
wR = 0.091
Data-to-parameter ratio = 12.0
Details
Open access

Poly[[bis{[mu]2-1,2-bis[(1H-imidazol-1-yl)methyl]benzene}([mu]4-9,10-dioxo-9,10-dihydroanthracene-1,4,5,8-tetracarboxylato)dicobalt(II)] dihydrate]

aDepartment of Applied Chemistry, College of Science, Nanjing University of Technology, Nanjing 210009, People's Republic of China
Correspondence e-mail: njutljl@163.com

The title complex, {[Co2(C18H4O10)(C14H14N4)2]·2H2O}n was synthesized from CoCl2·6H2O, 9,10-dioxo-9,10-dihydroanthracene-1,4,5,8-tetracarboxylic acid (H4AQTC) and 1,2-bis[(1H-imidazol-1-yl)methyl]benzene (o-bix) in water. The anthraquinone unit is located about a crystallographic center of inversion. Each asymmetric unit therefore contains one CoII atom and one o-bix ligand, as well as half an AQTC4- ligand and an additional solvent water molecule. The CoII ions are tetrahedrally surrounded by two O atoms from two AQTC4- anions and by two N atoms from two o-bix ligands, forming a two-dimensional coordination polymer. The solvent water molecules are connected to the carboxylate groups by O-H...O hydrogen bonds. Additional weak C-H...O hydrogen bonds are observed in the crystal structure.

Related literature

For general background to metal organic frameworks, see: Li et al. (1999[Li, H., Eddaoudi, M., O'Keeffe, M. & Yaghi, O. M. (1999). Nature (London), 402, 276-279.], 2012[Li, J. R., Sculley, J. & Zhou, H. C. (2012). Chem. Rev. 112, 869-932.]); Cheng et al. (2010[Cheng, X. N., Xue, W. & Chen, X. M. (2010). Eur. J. Inorg. Chem. 24, 3850-3855.]); Hong et al. (2009[Hong, D. Y., Hwang, Y. K., Serre, C., Ferey, G. & Chang, J. S. (2009). Adv. Funct. Mater. 19, 1537-1552.]); Miller & Gatteschi (2011[Miller, J. S. & Gatteschi, D. (2011). Chem. Soc. Rev. 40, 3065-3066.]); Liu et al. (2010[Liu, Y. M., He, R., Wang, F. M., Lu, C. S. & Meng, Q. J. (2010). Inorg. Chem. Commun. 13, 1375-1379.]).

[Scheme 1]

Experimental

Crystal data
  • [Co2(C18H4O10)(C14H14N4)2]·2H2O

  • Mr = 1010.68

  • Triclinic, [P \overline 1]

  • a = 9.561 (4) Å

  • b = 10.594 (5) Å

  • c = 12.436 (5) Å

  • [alpha] = 107.095 (7)°

  • [beta] = 102.454 (6)°

  • [gamma] = 106.551 (6)°

  • V = 1090.7 (8) Å3

  • Z = 1

  • Mo K[alpha] radiation

  • [mu] = 0.83 mm-1

  • T = 296 K

  • 0.43 × 0.36 × 0.28 mm

Data collection
  • Bruker SMART CCD area-detector diffractometer

  • Absorption correction: multi-scan (SADABS; Bruker, 2000[Bruker (2000). SMART, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]) Tmin = 0.717, Tmax = 0.801

  • 10020 measured reflections

  • 3787 independent reflections

  • 3411 reflections with I > 2[sigma](I)

  • Rint = 0.045

Refinement
  • R[F2 > 2[sigma](F2)] = 0.032

  • wR(F2) = 0.091

  • S = 1.04

  • 3787 reflections

  • 315 parameters

  • H atoms treated by a mixture of independent and constrained refinement

  • [Delta][rho]max = 0.39 e Å-3

  • [Delta][rho]min = -0.32 e Å-3

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
O6-H24...O4i 0.83 (5) 2.10 (5) 2.911 (4) 166 (5)
O6-H25...O2ii 0.99 (6) 1.92 (6) 2.883 (4) 164 (5)
C11-H11...O6iii 0.93 2.37 3.192 (4) 148
C12-H12...O5ii 0.93 2.39 3.268 (4) 157
C13-H13A...O1ii 0.97 2.58 3.389 (4) 141
C13-H13B...O3iv 0.97 2.54 3.278 (3) 133
C20-H20A...O2ii 0.97 2.58 3.301 (3) 131
C21-H21...O6v 0.93 2.52 3.302 (4) 143
Symmetry codes: (i) x+1, y, z; (ii) -x+1, -y, -z; (iii) x-1, y, z; (iv) -x, -y, -z; (v) -x+2, -y, -z+1.

Data collection: SMART (Bruker, 2000[Bruker (2000). SMART, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 2000[Bruker (2000). SMART, 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: IM2380 ).


Acknowledgements

The authors thank the Center of Test and Analysis, Nanjing University, for the support.

References

Bruker (2000). SMART, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.
Cheng, X. N., Xue, W. & Chen, X. M. (2010). Eur. J. Inorg. Chem. 24, 3850-3855.  [ISI] [CSD] [CrossRef]
Hong, D. Y., Hwang, Y. K., Serre, C., Ferey, G. & Chang, J. S. (2009). Adv. Funct. Mater. 19, 1537-1552.  [CrossRef] [ChemPort]
Li, H., Eddaoudi, M., O'Keeffe, M. & Yaghi, O. M. (1999). Nature (London), 402, 276-279.  [ChemPort]
Li, J. R., Sculley, J. & Zhou, H. C. (2012). Chem. Rev. 112, 869-932.  [ISI] [CrossRef] [ChemPort] [PubMed]
Liu, Y. M., He, R., Wang, F. M., Lu, C. S. & Meng, Q. J. (2010). Inorg. Chem. Commun. 13, 1375-1379.  [ISI] [CSD] [CrossRef] [ChemPort]
Miller, J. S. & Gatteschi, D. (2011). Chem. Soc. Rev. 40, 3065-3066.  [ISI] [CrossRef] [PubMed]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]


Acta Cryst (2013). E69, m136  [ doi:10.1107/S160053681202716X ]

This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.