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

Wang, W.-J.; Yue, J.-M.; Niu, Y.-Y.; Ng, S.W.

doi:10.1107/S1600536811000080

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 (C-C) = 0.005 Å
Disorder in solvent or counterion
R = 0.031
wR = 0.078
Data-to-parameter ratio = 22.9
Details

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

Wei-Juan Wang,^a Jun-Ming Yue,^a Yun-Yin Niu ^a and Seik Weng Ng ^b ^*

^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)[CdBr_2.375Cl_1.625], 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). For a similar disordered tetrahalogenidocadmate, see: Liu et al. (2007).

Experimental

Crystal data

(C₁₈H₂₆N₂)[CdBr_2.375Cl_1.625]
M_r = 630.20
Monoclinic, P 2₁ /c
a = 8.6969 (5) Å
b = 16.6024 (10) Å
c = 16.6881 (10) Å
= 104.936 (1)°
V = 2328.2 (2) Å³
Z = 4
Mo K radiation
= 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) T_min = 0.304, T_max = 0.624
21634 measured reflections
5354 independent reflections
4487 reflections with I > 2(I)
R_int = 0.045

Refinement

R[F² > 2(F²)] = 0.031
wR(F²) = 0.078
S = 1.02
5354 reflections
234 parameters
5 restraints
H-atom parameters constrained
_max = 1.49 e Å^-3
_min = -1.27 e Å^-3

Data collection: APEX2 (Bruker, 2009); cell refinement: SAINT (Bruker, 2009); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: X-SEED (Barbour, 2001); software used to prepare material for publication: publCIF (Westrip, 2010).

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.
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.
Liu, X.-C., Shi, J., Niu, Y.-Y., Xu, N. & Ng, S. W. (2007). Acta Cryst. E63, m1781.
Sheldrick, G. M. (1996). SADABS. University of Göttingen, Germany.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
Westrip, S. P. (2010). J. Appl. Cryst. 43, 920-925.

metal-organic compounds