3,3′-Bis(4-fluoro­benz­yl)-1,1′-ethyl­enediimidazolium tribromidocuprate(I)

Lee, H.M.; Lu, C.-Y.; Cheng, P.-Y.

doi:10.1107/S1600536808021521

Volume 64
Part 8
Page m1028
August 2008

Received 8 July 2008
Accepted 11 July 2008
Online 16 July 2008

Key indicators
Single-crystal X-ray study
T = 150 K
Mean (C-C) = 0.005 Å
R = 0.032
wR = 0.092
Data-to-parameter ratio = 18.4
Details

3,3'-Bis(4-fluorobenzyl)-1,1'-ethylenediimidazolium tribromidocuprate(I)

Hon Man Lee,^a ^* Chi-Ying Lu ^a and Pi-Yun Cheng ^a

^aNational Changhua University of Education, Department of Chemistry, Changhua 50058, Taiwan
Correspondence e-mail: leehm@cc.ncue.edu.tw

The title compound, (C₂₂H₂₂F₂N₄)[CuBr₃], crystallizes with the cation situated on an inversion center and the anion on a twofold rotation axis along one Cu-Br bond. The two imidazole rings are in an anti configuration. The anion has a trigonal planar coordination geometry.

Related literature

For general background, see: Liao et al. (2007). For the structure of another salt of this cation, see: Lee et al. (2007).

Experimental

Crystal data

(C₂₂H₂₂F₂N₄)[CuBr₃]
M_r = 683.71
Monoclinic, C 2/c
a = 15.4994 (11) Å
b = 11.0825 (8) Å
c = 15.4464 (12) Å
= 117.582 (4)°
V = 2351.7 (3) Å³
Z = 4
Mo K radiation
= 6.06 mm^-1
T = 150 (2) K
0.30 × 0.21 × 0.19 mm

Data collection

Bruker SMART 1000 diffractometer
Absorption correction: multi-scan (SADABS; Sheldrick, 2001) T_min = 0.213, T_max = 0.318
11647 measured reflections
2686 independent reflections
2242 reflections with I > 2(I)
R_int = 0.023

Refinement

R[F² > 2(F²)] = 0.032
wR(F²) = 0.091
S = 1.03
2686 reflections
146 parameters
H-atom parameters constrained
_max = 1.51 e Å^-3
_min = -0.73 e Å^-3

Table 1
Selected geometric parameters (Å, °)

Cu1-Br2	2.3314 (9)
Cu1-Br1	2.3869 (5)

Br2-Cu1-Br1	123.349 (16)
Br1-Cu1-Br1ⁱ	113.30 (3)
Symmetry code: (i) $[-x+1, y, -z+{\script{1\over 2}}]$ .

Data collection: SMART (Bruker, 2001); cell refinement: SAINT (Bruker, 2001); data reduction: SAINT; program(s) used to solve structure: SHELXTL (Sheldrick, 2008); 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: CF2209 ).

Acknowledgements

The authors are grateful to the National Science Council of Taiwan for financial support of this work.

References

Bruker (2001). SMART and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.
Lee, H. M., Chen, C.-Y., Chen, W.-L. & Lin, H.-C. (2007). Acta Cryst. E63, o315-o316.
Liao, C.-Y., Chan, K.-T., Zeng, J.-Y., Hu, C.-H., Tu, C.-Y. & Lee, H. M. (2007). Organometallics, 26, 1692-1702.
Sheldrick, G. M. (2001). SADABS. University of Göttingen, Germany.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.

metal-organic compounds