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Volume 65 
Part 1 
Page m7  
January 2009  

Received 4 November 2008
Accepted 7 November 2008
Online 3 December 2008

Key indicators
Single-crystal X-ray study
T = 173 K
Mean [sigma](C-C) = 0.005 Å
Disorder in solvent or counterion
R = 0.034
wR = 0.107
Data-to-parameter ratio = 14.0
Details
Open access

Tris(2,2'-bipyridine-[kappa]2N,N')cadmium(II) bis(perchlorate) hemihydrate

aKey Laboratory for Soft Chemistry and Functional Materials of the Ministry of Education, Nanjing University of Science and Technology, Nanjing 210094, People's Republic of China
Correspondence e-mail: zhangweiguang650@sohu.com

The asymmetric unit of the title compound, [Cd(C10H8N2)3](ClO4)2·0.5H2O, consists of one complex [Cd(bpy)3]2+ cation (bpy = 2,2'-bipyridine), two perchlorate anions and one water molecule with half-occupancy. The central cadmium(II) ion is bound to six N atoms from three bpy ligands in a distorted octahedral coordination, with Cd-N bond distances ranging from 2.304 (3) to 2.395 (2) Å.

Related literature

For applications of metal complexes of 2,2'-bipyridine and its derivatives, see: Kuang et al. (2006[Kuang, D., Klein, C., Snaith, H. J., Moser, J.-E., Humphry-Baker, R., Comte, P., Zakeeruddin, S. M. & Gratzel, M. (2006). Nano Lett. 6, 769-773.]). For cadmium complexes, see: Kundu et al. (2005[Kundu, N., Mandal, D., Chaudhury, M. & Tiekink, E. R. T. (2005). Appl. Organomet. Chem. 19, 1268-1270.]); Ranjbar et al. (2007[Ranjbar, Z. R., Morsali, A. & Zhu, L.-G. (2007). J. Coord. Chem. 6, 667-676.]); Shi et al. (2006[Shi, J.-M., Chen, J.-N. & Liu, L.-D. (2006). Acta Cryst. E62, m2094-m2095.]); Zheng et al. (2005[Zheng, S.-T., Zhang, J., Xu, J.-Q. & Yang, G.-Y. (2005). J. Solid State Chem. 178, 3740-3746.]).

[Scheme 1]

Experimental

Crystal data
  • [Cd(C10H8N2)3](ClO4)2·0.5H2O

  • Mr = 788.87

  • Triclinic, [P \overline 1]

  • a = 8.1704 (3) Å

  • b = 11.0282 (5) Å

  • c = 18.3875 (7) Å

  • [alpha] = 104.631 (1)°

  • [beta] = 92.652 (1)°

  • [gamma] = 100.520 (1)°

  • V = 1568.68 (11) Å3

  • Z = 2

  • Mo K[alpha] radiation

  • [mu] = 0.93 mm-1

  • T = 173 (2) K

  • 0.20 × 0.16 × 0.12 mm

Data collection
  • Bruker SMART CCD area-detector diffractometer

  • Absorption correction: multi-scan (SADABS; Bruker, 2000[Bruker (2000). SMART, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]) Tmin = 0.82, Tmax = 0.90

  • 19563 measured reflections

  • 6067 independent reflections

  • 5114 reflections with I > 2[sigma](I)

  • Rint = 0.037

Refinement
  • R[F2 > 2[sigma](F2)] = 0.034

  • wR(F2) = 0.107

  • S = 1.01

  • 6067 reflections

  • 434 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 0.44 e Å-3

  • [Delta][rho]min = -0.54 e Å-3

Table 1
Selected geometric parameters (Å, °)

Cd1-N4 2.304 (3)
Cd1-N2 2.312 (3)
Cd1-N6 2.330 (3)
Cd1-N3 2.329 (3)
Cd1-N5 2.383 (3)
Cd1-N1 2.395 (2)

Data collection: SMART (Bruker, 2000[Bruker (2000). SMART, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 2000[Bruker (2000). SMART, 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: 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: HG2440 ).


Acknowledgements

This work was supported financially by the National Natural Science Foundation of China (grant No. 50572039) and the Natural Science Foundation of Jiangsu Province (BK2006199).

References

Bruker (2000). SMART, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.
Kuang, D., Klein, C., Snaith, H. J., Moser, J.-E., Humphry-Baker, R., Comte, P., Zakeeruddin, S. M. & Gratzel, M. (2006). Nano Lett. 6, 769-773.  [ISI] [CrossRef] [PubMed] [ChemPort]
Kundu, N., Mandal, D., Chaudhury, M. & Tiekink, E. R. T. (2005). Appl. Organomet. Chem. 19, 1268-1270.  [ISI] [CSD] [CrossRef] [ChemPort]
Ranjbar, Z. R., Morsali, A. & Zhu, L.-G. (2007). J. Coord. Chem. 6, 667-676.  [ISI] [CSD] [CrossRef]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Shi, J.-M., Chen, J.-N. & Liu, L.-D. (2006). Acta Cryst. E62, m2094-m2095.  [CSD] [CrossRef] [details]
Zheng, S.-T., Zhang, J., Xu, J.-Q. & Yang, G.-Y. (2005). J. Solid State Chem. 178, 3740-3746.  [ISI] [CSD] [CrossRef] [ChemPort]


Acta Cryst (2009). E65, m7  [ doi:10.1107/S1600536808036593 ]

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