[Journal logo]

Volume 69 
Part 7 
Page m371  
July 2013  

Received 15 May 2013
Accepted 2 June 2013
Online 8 June 2013

Key indicators
Single-crystal X-ray study
T = 296 K
Mean [sigma](C-C) = 0.003 Å
H completeness 94%
Disorder in solvent or counterion
R = 0.033
wR = 0.093
Data-to-parameter ratio = 17.3
Details
Open access

Poly[[diaquatris([mu]2-4,4'-bipyridine)bis[[mu]2-2-(carboxylatomethylsulfanyl)nicotinato]dicobalt(II)] 1.3-hydrate]

aZhejiang Key Laboratory for Reactive Chemistry on Solid Surfaces, College of Chemistry and Life Science, Zhejiang Normal University, Jinhua, Zhejiang 321004, People's Republic of China
Correspondence e-mail: sky37@zjnu.cn

The title complex, [Co2(C8H5NO4S)2(C10H8N2)3(H2O)2]·1.3H2O, was synthesized under hydrothermal conditions. The CoII ion is six-coordinated in a slightly distorted octahedral environment resulting from two carboxylate O atoms of two 2-carboxymethylsulfanyl nicotinate (2-CMSN2-) anions, one water molecule and three N atoms of three 4,4'-bipyridine ligands, with one 4,4'-bipyridine ligand situated on a centre of inversion. Two neighboring CoII ions are linked by two anions, giving a dinuclear [Co2(2-CMSN)2] subunit with a Co...Co separation of 6.8600 (3) Å. The dinuclear subunits are joined by bridging 4,4'-bipyridine linkers, generating a three-dimensional network structure. Disordered water molecules are situated in the free space of this network. O-H...O hydrogen bonding within and between the subunits enhances the stability of the structure.

Related literature

For general background to coordination polymers, see: Wang et al. (2004[Wang, X.-L., Qin, C., Wang, E.-B., Xu, L., Su, Z.-M. & Hu, C.-W. (2004). Angew. Chem. Int. Ed. 43, 5036-5040.]). For crystal structures of related compounds based on 2-mercaptonicotinic acid, see: Sun et al. (2011[Sun, D., Wang, D.-F., Han, X.-G., Zhang, N., Huang, R.-B. & Zheng, L.-S. (2011). Chem. Commun. 47, 746-748.]). For complexes derived from the 2-H2CMSN ligand, see: Jiang et al. (2010[Jiang, X.-R., Wang, X.-J. & Feng, Y.-L. (2010). Acta Cryst. E66, o3308.], 2012[Jiang, X.-R., Wang, X.-J. & Feng, Y.-L. (2012). Inorg. Chim. Acta, 383, 38-45.]).

[Scheme 1]

Experimental

Crystal data
  • [Co2(C8H5NO4S)2(C10H8N2)3(H2O)2]·1.3H2O

  • Mr = 534.13

  • Monoclinic, P 21 /c

  • a = 10.2211 (1) Å

  • b = 17.1355 (2) Å

  • c = 16.4142 (2) Å

  • [beta] = 125.484 (1)°

  • V = 2340.92 (5) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 0.87 mm-1

  • T = 296 K

  • 0.34 × 0.20 × 0.11 mm

Data collection
  • Bruker APEXII CCD diffractometer

  • Absorption correction: multi-scan (SADABS; Bruker, 2006[Bruker (2006). APEX2, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]) Tmin = 0.814, Tmax = 0.912

  • 38093 measured reflections

  • 5439 independent reflections

  • 4772 reflections with I > 2[sigma](I)

  • Rint = 0.025

Refinement
  • R[F2 > 2[sigma](F2)] = 0.033

  • wR(F2) = 0.093

  • S = 1.05

  • 5439 reflections

  • 315 parameters

  • 3 restraints

  • H-atom parameters constrained

  • [Delta][rho]max = 0.68 e Å-3

  • [Delta][rho]min = -0.53 e Å-3

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
O1W-H1WA...O3i 0.85 1.89 2.663 (2) 150
O1W-H1WB...O2 0.85 1.90 2.682 (2) 152
Symmetry code: (i) -x, -y-1, -z.

Data collection: APEX2 (Bruker, 2006[Bruker (2006). APEX2, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 2006[Bruker (2006). 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: DIAMOND (Brandenburg, 2008[Brandenburg, K. (2008). DIAMOND. Crystal Impact GbR, Bonn, Germany.]); software used to prepare material for publication: SHELXTL (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]).


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: WM2744 ).


References

Brandenburg, K. (2008). DIAMOND. Crystal Impact GbR, Bonn, Germany.
Bruker (2006). APEX2, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.
Jiang, X.-R., Wang, X.-J. & Feng, Y.-L. (2010). Acta Cryst. E66, o3308.  [CSD] [CrossRef] [IUCr Journals]
Jiang, X.-R., Wang, X.-J. & Feng, Y.-L. (2012). Inorg. Chim. Acta, 383, 38-45.  [Web of Science] [CSD] [CrossRef] [ChemPort]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [ChemPort] [IUCr Journals]
Sun, D., Wang, D.-F., Han, X.-G., Zhang, N., Huang, R.-B. & Zheng, L.-S. (2011). Chem. Commun. 47, 746-748.  [CSD] [CrossRef] [ChemPort]
Wang, X.-L., Qin, C., Wang, E.-B., Xu, L., Su, Z.-M. & Hu, C.-W. (2004). Angew. Chem. Int. Ed. 43, 5036-5040.  [Web of Science] [CSD] [CrossRef] [ChemPort]


Acta Cryst (2013). E69, m371  [ doi:10.1107/S1600536813015262 ]

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.