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Volume 66 
Part 2 
Page m185  
February 2010  

Received 1 January 2010
Accepted 14 January 2010
Online 20 January 2010

Key indicators
Single-crystal X-ray study
T = 295 K
Mean [sigma](C-C) = 0.005 Å
R = 0.045
wR = 0.081
Data-to-parameter ratio = 16.8
Details
Open access

catena-Poly[[[diaquacopper(II)]-bis([mu]2-di-4-pyridyl disulfide-[kappa]2N:N')] bis(hydrogen phthalate) monohydrate]

aState Key Laboratory Base of Novel Functional Materials and Preparation Science, Center of Applied Solid State Chemistry Research, Ningbo University, Ningbo, Zhejiang 315211, People's Republic of China
Correspondence e-mail: linjianli@nbu.edu.cn

The asymmetric unit of the title compound, {[Cu(C10H8N2S2)2(H2O)2](C8H5O4)2·H2O}n, contains one CuII ion, two bridging di-4-pyridyl disulfide (4-DPDS) ligands of the same chirality, two coordinating water molecules, two hydrogen phthalate anions and one uncoordinated water molecule. The polymeric structure consists of two types of polymeric chains, each composed from repeated chiral rhomboids. The CuII ions adopt a distorted octahedral coordination geometry and are coordinated by four pyridine N atoms and two water O atoms. The coordinated water molecules and hydrogen phthalate anions are located between the repeated rhomboidal chains, and form hydrogen bonds with the coordinated water molecules.

Related literature

For general background to 4,4'-dipyridyldisulfide, see Horikoshi & Mochida (2006[Horikoshi, R. & Mochida, T. (2006). Coord. Chem. Rev. 250, 2595-2609.]). For coordination complexes with the title ligand, see: Manna et al. (2005[Manna, S. C., Konar, S., Zangrando, E., Drew, M. G. B., Ribas, J. & Chaudhuri, N. R. (2005). Eur. J. Inorg. Chem. pp. 1751-1758.], 2007[Manna, S. C., Ribas, J., Zangrando, E. & Chaudhuri, N. R. (2007). Polyhedron, 26, 4923-4928.]); Luo et al. (2003[Luo, J., Hong, M., Wang, R., Yuan, D., Cao, R., Han, L., Xu, Y. & Lin, Z. (2003). Eur. J. Inorg. Chem. pp. 3623-3632.]).

[Scheme 1]

Experimental

Crystal data
  • [Cu(C10H8N2S2)2(H2O)2](C8H5O4)2·H2O

  • Mr = 888.44

  • Orthorhombic, P n a 21

  • a = 20.253 (4) Å

  • b = 10.732 (2) Å

  • c = 17.228 (3) Å

  • V = 3744.6 (13) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 0.88 mm-1

  • T = 295 K

  • 0.40 × 0.13 × 0.12 mm

Data collection
  • Rigaku R-AXIS RAPID diffractometer

  • Absorption correction: multi-scan (ABSCOR; Higashi, 1995[Higashi, T. (1995). ABSCOR. Rigaku Corporation, Tokyo, Japan.]) Tmin = 0.870, Tmax = 0.901

  • 34124 measured reflections

  • 8513 independent reflections

  • 5968 reflections with I > 2[sigma](I)

  • Rint = 0.077

Refinement
  • R[F2 > 2[sigma](F2)] = 0.045

  • wR(F2) = 0.081

  • S = 1.02

  • 8513 reflections

  • 506 parameters

  • 1 restraint

  • H-atom parameters constrained

  • [Delta][rho]max = 0.25 e Å-3

  • [Delta][rho]min = -0.32 e Å-3

  • Absolute structure: Flack (1983[Flack, H. D. (1983). Acta Cryst. A39, 876-881.]), 4088 Friedel pairs

  • Flack parameter: 0.00 (7)

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
O1-HW1...O7 0.81 2.51 3.118 (6) 133
O1-HW2...O3i 0.81 1.92 2.658 (4) 153
O2-H2C...O7ii 0.75 2.13 2.878 (4) 174
O2-H2D...O9 0.80 2.05 2.841 (4) 171
O3-H3C...O4ii 0.81 2.02 2.800 (4) 163
O3-H3D...O11 0.76 2.03 2.784 (5) 172
O5-H5C...O6 0.85 1.51 2.358 (5) 178
O8-H8C...O11 0.87 1.50 2.367 (4) 178
Symmetry codes: (i) [-x+{\script{1\over 2}}, y+{\script{1\over 2}}, z-{\script{1\over 2}}]; (ii) [-x+1, -y+1, z+{\script{1\over 2}}].

Data collection: RAPID-AUTO (Rigaku, 1998[Rigaku (1998). RAPID-AUTO. Rigaku Corporation, Tokyo, Japan.]); cell refinement: RAPID-AUTO; data reduction: CrystalStructure (Rigaku/MSC, 2004[Rigaku/MSC (2004). 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: SHELXTL (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); software used to prepare material for publication: SHELXL97.


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: CV2686 ).


Acknowledgements

This project was supported by the National Natural Science Foundation of China (grant No. 20072022), the Science and Technology Department of Zhejiang Province (grant No. 2006 C21105) and the Education Department of Zhejiang Province. Grateful thanks are also extended to the K. C. Wong Magna Fund in Ningbo University.

References

Flack, H. D. (1983). Acta Cryst. A39, 876-881.  [CrossRef] [details]
Higashi, T. (1995). ABSCOR. Rigaku Corporation, Tokyo, Japan.
Horikoshi, R. & Mochida, T. (2006). Coord. Chem. Rev. 250, 2595-2609.  [ISI] [CrossRef] [ChemPort]
Luo, J., Hong, M., Wang, R., Yuan, D., Cao, R., Han, L., Xu, Y. & Lin, Z. (2003). Eur. J. Inorg. Chem. pp. 3623-3632.  [ISI] [CSD] [CrossRef]
Manna, S. C., Konar, S., Zangrando, E., Drew, M. G. B., Ribas, J. & Chaudhuri, N. R. (2005). Eur. J. Inorg. Chem. pp. 1751-1758.  [ISI] [CSD] [CrossRef]
Manna, S. C., Ribas, J., Zangrando, E. & Chaudhuri, N. R. (2007). Polyhedron, 26, 4923-4928.  [ISI] [CSD] [CrossRef] [ChemPort]
Rigaku (1998). RAPID-AUTO. Rigaku Corporation, Tokyo, Japan.
Rigaku/MSC (2004). CrystalStructure. Rigaku/MSC Inc., The Woodlands, Texas, USA.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]


Acta Cryst (2010). E66, m185  [ doi:10.1107/S1600536810001716 ]

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