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Volume 67 
Part 7 
Page m973  
July 2011  

Received 15 May 2011
Accepted 20 June 2011
Online 25 June 2011

Key indicators
Single-crystal X-ray study
T = 293 K
Mean [sigma](C-C) = 0.003 Å
R = 0.048
wR = 0.142
Data-to-parameter ratio = 16.3
Details
Open access

Tris(1,10-phenanthroline)cobalt(II) bis(trichloroacetate)

aMicroscale Science Institute, Department of Chemistry and Chemical Engineering, Weifang University, Weifang 261061, People's Republic of China, and bDepartment of Chemistry and Chemical Engineering, Weifang University, Weifang 261061, People's Republic of China
Correspondence e-mail: ffjian2008@163.com

In the title complex, [Co(C12H8N2)3](C2Cl3O2)2, the CoII ion lies on a twofold rotation axis and is coordinated by six N atoms from three bis-chelating 1,10-phenanthroline ligands in a distorted octahedral environment. The crystal structure is stabilized by weak intermolecular C-H...O hydrogen bonds.

Related literature

For background to metal-organic framework coordination polymers, see: Chen et al. (2001[Chen, B., Eddaoudi, M., Hyde, S. T., O'Keeffe, M. & Yaghi, O. M. (2001). Science, 291, 1021-1023.]); Fang et al. (2005[Fang, Q. R., Zhu, G. S., Xue, M., Sun, J. Y., Wei, Y., Qiu, S. & Xu, R. R. (2005). Angew. Chem. Int. Ed. 44, 3845-3848.]). For a related structure, see: Harding et al. (2008[Harding, D. J., Harding, P. & Adams, H. (2008). Acta Cryst. E64, m1538.]).

[Scheme 1]

Experimental

Crystal data
  • [Co(C12H8N2)3](C2Cl3O2)2

  • Mr = 924.28

  • Monoclinic, C 2/c

  • a = 18.367 (4) Å

  • b = 10.753 (2) Å

  • c = 19.020 (4) Å

  • [beta] = 100.94 (3)°

  • V = 3688.2 (13) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 0.95 mm-1

  • T = 293 K

  • 0.26 × 0.20 × 0.12 mm

Data collection
  • Bruker SMART CCD diffractometer

  • Absorption correction: multi-scan (SADABS; Sheldrick, 1996[Sheldrick, G. M. (1996). SADABS. University of Göttingen, Germany.]) Tmin = 0.837, Tmax = 0.923

  • 17083 measured reflections

  • 4215 independent reflections

  • 3364 reflections with I > 2[sigma](I)

  • Rint = 0.092

Refinement
  • R[F2 > 2[sigma](F2)] = 0.048

  • wR(F2) = 0.142

  • S = 0.89

  • 4215 reflections

  • 258 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 0.81 e Å-3

  • [Delta][rho]min = -0.45 e Å-3

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
C9-H9A...O1i 0.93 2.54 3.401 (3) 154
C10-H10A...O2ii 0.93 2.35 3.120 (3) 140
C13-H13A...O1iii 0.93 2.28 3.004 (3) 134
C14-H14A...O1iv 0.93 2.60 3.455 (3) 154
C15-H15A...O2iv 0.93 2.56 3.266 (3) 133
Symmetry codes: (i) [-x+{\script{1\over 2}}, -y+{\script{1\over 2}}, -z]; (ii) -x, -y, -z; (iii) [-x+{\script{1\over 2}}, y-{\script{1\over 2}}, -z+{\script{1\over 2}}]; (iv) [x, -y+1, z+{\script{1\over 2}}].

Data collection: SMART (Bruker, 1997[Bruker (1997). SMART and SAINT Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 1997[Bruker (1997). SMART and SAINT 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: LH5253 ).


Acknowledgements

The authors would like to thank the Natural Science Foundation of Shandong Province (No. Y2008B30).

References

Bruker (1997). SMART and SAINT Bruker AXS Inc., Madison, Wisconsin, USA.
Chen, B., Eddaoudi, M., Hyde, S. T., O'Keeffe, M. & Yaghi, O. M. (2001). Science, 291, 1021-1023.  [ISI] [CSD] [CrossRef] [PubMed] [ChemPort]
Fang, Q. R., Zhu, G. S., Xue, M., Sun, J. Y., Wei, Y., Qiu, S. & Xu, R. R. (2005). Angew. Chem. Int. Ed. 44, 3845-3848.  [ISI] [CSD] [CrossRef] [ChemPort]
Harding, D. J., Harding, P. & Adams, H. (2008). Acta Cryst. E64, m1538.  [CSD] [CrossRef] [details]
Sheldrick, G. M. (1996). SADABS. University of Göttingen, Germany.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]


Acta Cryst (2011). E67, m973  [ doi:10.1107/S160053681102410X ]

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