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Volume 68 
Part 11 
Page m1394  
November 2012  

Received 7 October 2012
Accepted 17 October 2012
Online 20 October 2012

Key indicators
Single-crystal X-ray study
T = 293 K
Mean [sigma](C-C) = 0.003 Å
R = 0.029
wR = 0.085
Data-to-parameter ratio = 17.9
Details
Open access

Tetraaquabis(6-chloropyridine-3-carboxylato-[kappa]O)cobalt(II) tetrahydrate

aCollege of Sciences, Zhejiang A&F University, Lin'an Hangzhou, Zhejiang 311300, People's Republic of China, and bCollege of Engineering, Zhejiang A&F University, Lin'an Hangzhou, Zhejiang 311300, People's Republic of China
Correspondence e-mail: libingzjfc@163.com

In the title compound, [Co(C6H3ClNO2)2(H2O)4]·4H2O, the CoII cation is located on an inversion center and is coordinated by four water molecules and two 6-chloropyridine-3-carboxylate anions in a slightly distorted octahedral geometry. In the crystal, complex molecules and lattice water molecules are linked by O-H...O and O-H...N hydrogen bonds into a three-dimensional network.

Related literature

For background and related structures, see: Long et al. (2007[Long, S., Siegler, M. & Li, T. (2007). Acta Cryst. E63, o279-o281.]); Li et al. (2006[Li, F.-H., Yin, H.-D., Sun, L., Zhao, Q. & Liu, W.-L. (2006). Acta Cryst. E62, m1117-m1118.]).

[Scheme 1]

Experimental

Crystal data
  • [Co(C6H3ClNO2)2(H2O)4]·4H2O

  • Mr = 516.15

  • Triclinic, [P \overline 1]

  • a = 7.0314 (14) Å

  • b = 7.3569 (15) Å

  • c = 11.564 (2) Å

  • [alpha] = 86.41 (3)°

  • [beta] = 77.75 (3)°

  • [gamma] = 64.80 (3)°

  • V = 528.7 (2) Å3

  • Z = 1

  • Mo K[alpha] radiation

  • [mu] = 1.13 mm-1

  • T = 293 K

  • 0.42 × 0.37 × 0.18 mm

Data collection
  • Rigaku R-AXIS RAPID diffractometer

  • Absorption correction: multi-scan (ABSCOR; Higashi, 1995[Higashi, T. (1995). ABSCOR. Rigaku Corporation, Tokyo, Japan.]) Tmin = 0.754, Tmax = 0.862

  • 5250 measured reflections

  • 2394 independent reflections

  • 2094 reflections with I > 2[sigma](I)

  • Rint = 0.065

Refinement
  • R[F2 > 2[sigma](F2)] = 0.029

  • wR(F2) = 0.085

  • S = 1.16

  • 2394 reflections

  • 134 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 0.45 e Å-3

  • [Delta][rho]min = -0.48 e Å-3

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
OW1-H1WA...O1 0.86 1.81 2.644 (2) 162
OW1-H1WB...OW4 0.82 2.01 2.818 (2) 173
OW2-H2WA...OW4i 0.82 2.07 2.857 (2) 161
OW2-H2WB...OW3i 0.89 1.92 2.791 (2) 167
OW3-H3WA...Nii 0.85 2.00 2.842 (2) 172
OW3-H3WB...O1 0.81 1.95 2.763 (2) 176
OW4-H4WA...OW1iii 0.85 2.23 2.948 (2) 141
OW4-H4WB...OW3i 0.86 1.94 2.763 (2) 158
Symmetry codes: (i) -x+1, -y+1, -z+1; (ii) -x+1, -y+1, -z; (iii) -x+2, -y, -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, 2004[Rigaku/MSC (2004). CrystalStructure. Rigaku/MSC Inc., The Woodlands, Texas, USA.]); program(s) used to solve structure: SHELXTL (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL.


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: XU5631 ).


Acknowledgements

This work was supported by the National Natural Science Foundation (No.21207117), the Zhejiang Provincial Municipal Science and Technology Project (2008 C12055) and the Natural Science Foundation of Zhejiang Province (No. LY12B02013).

References

Higashi, T. (1995). ABSCOR. Rigaku Corporation, Tokyo, Japan.
Li, F.-H., Yin, H.-D., Sun, L., Zhao, Q. & Liu, W.-L. (2006). Acta Cryst. E62, m1117-m1118.  [CSD] [CrossRef] [details]
Long, S., Siegler, M. & Li, T. (2007). Acta Cryst. E63, o279-o281.  [CSD] [CrossRef] [details]
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 (2012). E68, m1394  [ doi:10.1107/S160053681204319X ]

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