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Volume 68 
Part 12 
Page m1505  
December 2012  

Received 21 October 2012
Accepted 5 November 2012
Online 17 November 2012

Key indicators
Single-crystal X-ray study
T = 293 K
Mean [sigma](C-C) = 0.008 Å
Disorder in main residue
R = 0.074
wR = 0.167
Data-to-parameter ratio = 15.5
Details
Open access

catena-Poly[[[diaquacopper(II)]-bis[[mu]-1,5-bis(1H-imidazol-1-yl)pentane-[kappa]2N3:N3']] naphthalene-1,5-disulfonate]

aDepartment of Chemistry and Chemical Engineering, Xinxiang University, Xinxiang 453000, People's Republic of China
Correspondence e-mail: zhanglaiping2010@yahoo.com.cn

In the title complex, {[Cu(C11H16N4)2(H2O)2](C10H6O6S2)}n, the CuII atom, lying on an inversion center, is six-coordinated by two water molecules and four N atoms from four 1,5-bis(1H-imidazol-1-yl)pentane (biim-5) ligands in a distorted octahedral geometry. Adjacent CuII atoms are linked by two biim-5 ligands, forming a chain along [111]. Two atoms of the pentane group are disordered over two sets of sites, with an occupancy ratio of 0.554 (18):0.446 (18). Intermolecular O-H...O hydrogen bonds link the chains and the centrosymmetric naphthalene-1,5-disulfonate anions into a layer structure parallel to (0-11).

Related literature

For background to metal-organic coordination polymers with N-donor ligands, see: Kesanli et al. (2005[Kesanli, B., Cui, Y., Smith, M. R., Bittner, E. W., Bockrath, B. C. & Lin, W. B. (2005). Angew. Chem. Int. Ed. 44, 72-75.]); Wei et al. (2008[Wei, G.-H., Yang, J., Ma, J.-F., Liu, Y.-Y. & Li, S.-L. (2008). Acta Cryst. C64, m267-m270.]); Zhang et al. (2010[Zhang, L.-P., Ma, J.-F., Pang, Y.-Y., Ma, J.-C. & Yang, J. (2010). CrystEngComm, 12, 4433-4442.]).

[Scheme 1]

Experimental

Crystal data
  • [Cu(C11H16N4)2(H2O)2](C10H6O6S2)

  • Mr = 790.37

  • Triclinic, [P \overline 1]

  • a = 9.300 (5) Å

  • b = 9.880 (5) Å

  • c = 11.020 (5) Å

  • [alpha] = 95.490 (5)°

  • [beta] = 102.930 (5)°

  • [gamma] = 114.000 (5)°

  • V = 881.5 (8) Å3

  • Z = 1

  • Mo K[alpha] radiation

  • [mu] = 0.80 mm-1

  • T = 293 K

  • 0.41 × 0.33 × 0.21 mm

Data collection
  • Rigaku R-AXIS RAPID diffractometer

  • Absorption correction: multi-scan (ABSCOR; Higashi, 1995[Higashi, T. (1995). ABSCOR. Rigaku Corporation, Tokyo, Japan.]) Tmin = 0.970, Tmax = 0.980

  • 8706 measured reflections

  • 3995 independent reflections

  • 2218 reflections with I > 2[sigma](I)

  • Rint = 0.076

Refinement
  • R[F2 > 2[sigma](F2)] = 0.074

  • wR(F2) = 0.167

  • S = 1.03

  • 3995 reflections

  • 258 parameters

  • 4 restraints

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

  • [Delta][rho]max = 0.52 e Å-3

  • [Delta][rho]min = -0.62 e Å-3

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
O1W-H1A...O2 0.89 (6) 1.97 (6) 2.836 (6) 163 (6)
O1W-H1B...O1i 0.89 (4) 2.11 (4) 3.001 (6) 178 (7)
Symmetry code: (i) -x, -y+1, -z+1.

Data collection: RAPID-AUTO (Rigaku, 1998[Rigaku (1998). RAPID-AUTO. Rigaku Corporation, Tokyo, Japan.]); cell refinement: RAPID-AUTO; data reduction: CrystalStructure (Rigaku/MSC, 2002[Rigaku/MSC (2002). CrystalStructure. Rigaku/MSC Inc., The Woodlands, Texas, USA.]); 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: XP in 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: HY2599 ).


Acknowledgements

We thank the Science and Technology Key Projects for Technological Research on Preparation and Application of TiO2, Henan Province (grant No. 0624270006), for support.

References

Higashi, T. (1995). ABSCOR. Rigaku Corporation, Tokyo, Japan.
Kesanli, B., Cui, Y., Smith, M. R., Bittner, E. W., Bockrath, B. C. & Lin, W. B. (2005). Angew. Chem. Int. Ed. 44, 72-75.  [ISI] [CSD] [CrossRef] [ChemPort]
Rigaku (1998). RAPID-AUTO. Rigaku Corporation, Tokyo, Japan.
Rigaku/MSC (2002). CrystalStructure. Rigaku/MSC Inc., The Woodlands, Texas, USA.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Wei, G.-H., Yang, J., Ma, J.-F., Liu, Y.-Y. & Li, S.-L. (2008). Acta Cryst. C64, m267-m270.  [CSD] [CrossRef] [details]
Zhang, L.-P., Ma, J.-F., Pang, Y.-Y., Ma, J.-C. & Yang, J. (2010). CrystEngComm, 12, 4433-4442.  [ISI] [CSD] [CrossRef] [ChemPort]


Acta Cryst (2012). E68, m1505  [ doi:10.1107/S1600536812045679 ]

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