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Volume 67 
Part 2 
Page m158  
February 2011  

Received 3 January 2011
Accepted 4 January 2011
Online 12 January 2011

Key indicators
Single-crystal X-ray study
T = 100 K
Mean [sigma](C-C) = 0.005 Å
Disorder in solvent or counterion
R = 0.031
wR = 0.078
Data-to-parameter ratio = 22.9
Details
Open access

1,1'-Di-n-butyl-4,4'-bipyridinium 2.375-bromido-1.625-chloridocadmate

aDepartment of Chemistry, Zhengzhou University, Zhengzhou 450052, People's Republic of China, and bDepartment of Chemistry, University of Malaya, 50603 Kuala Lumpur, Malaysia
Correspondence e-mail: seikweng@um.edu.my

The title salt, (C18H26N2)[CdBr2.375Cl1.625], consists of non-interacting cations and tetrahedral cadmate(II) anions. The halogen atoms are all disordered, the bromine components being in 0.9035 (17):0.0965 (17), 0.6581 (18):0.3419 (18), 0.5019 (19):0.4981 (19) and 0.6847 (19):0.3153 (18) ratios. The aromatic rings of the cation are twisted by 25.0 (1)°.

Related literature

For the synthesis of the cation, see: Hou et al. (2005[Hou, Z.-S., Tan, Y.-B., Xu, J. & Zhou, Q.-F. (2005). Chin. J. Org. Chem. 25, 934-939.]). For a similar disordered tetrahalogenidocadmate, see: Liu et al. (2007[Liu, X.-C., Shi, J., Niu, Y.-Y., Xu, N. & Ng, S. W. (2007). Acta Cryst. E63, m1781.]).

[Scheme 1]

Experimental

Crystal data
  • (C18H26N2)[CdBr2.375Cl1.625]

  • Mr = 630.20

  • Monoclinic, P 21 /c

  • a = 8.6969 (5) Å

  • b = 16.6024 (10) Å

  • c = 16.6881 (10) Å

  • [beta] = 104.936 (1)°

  • V = 2328.2 (2) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 5.21 mm-1

  • T = 100 K

  • 0.30 × 0.30 × 0.10 mm

Data collection
  • Bruker SMART APEX diffractometer

  • Absorption correction: multi-scan (SADABS; Sheldrick, 1996[Sheldrick, G. M. (1996). SADABS. University of Göttingen, Germany.]) Tmin = 0.304, Tmax = 0.624

  • 21634 measured reflections

  • 5354 independent reflections

  • 4487 reflections with I > 2[sigma](I)

  • Rint = 0.045

Refinement
  • R[F2 > 2[sigma](F2)] = 0.031

  • wR(F2) = 0.078

  • S = 1.02

  • 5354 reflections

  • 234 parameters

  • 5 restraints

  • H-atom parameters constrained

  • [Delta][rho]max = 1.49 e Å-3

  • [Delta][rho]min = -1.27 e Å-3

Data collection: APEX2 (Bruker, 2009[Bruker (2009). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 2009[Bruker (2009). APEX2 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: X-SEED (Barbour, 2001[Barbour, L. J. (2001). J. Supramol. Chem. 1, 189-191.]); software used to prepare material for publication: publCIF (Westrip, 2010[Westrip, S. P. (2010). J. Appl. Cryst. 43, 920-925.]).


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: XU5137 ).


Acknowledgements

We thank the National Natural Science Foundation of China (Nos. J0830412, 20671083), Zhengzhou University and the University of Malaya for supporting this study.

References

Barbour, L. J. (2001). J. Supramol. Chem. 1, 189-191.  [CrossRef] [ChemPort]
Bruker (2009). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.
Hou, Z.-S., Tan, Y.-B., Xu, J. & Zhou, Q.-F. (2005). Chin. J. Org. Chem. 25, 934-939.  [ChemPort]
Liu, X.-C., Shi, J., Niu, Y.-Y., Xu, N. & Ng, S. W. (2007). Acta Cryst. E63, m1781.  [CSD] [CrossRef] [details]
Sheldrick, G. M. (1996). SADABS. University of Göttingen, Germany.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Westrip, S. P. (2010). J. Appl. Cryst. 43, 920-925.  [ISI] [CrossRef] [ChemPort] [details]


Acta Cryst (2011). E67, m158  [ doi:10.1107/S1600536811000080 ]

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