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Volume 68 
Part 12 
Page m1471  
December 2012  

Received 26 October 2012
Accepted 7 November 2012
Online 10 November 2012

Key indicators
Single-crystal X-ray study
T = 120 K
Mean [sigma](C-C) = 0.011 Å
R = 0.052
wR = 0.129
Data-to-parameter ratio = 16.0
Details
Open access

Di-[mu]-bromido-bis[bromido(4,7-diphenyl-1,10-phenanthroline-[kappa]2N,N')cadmium]

aDepartment of Chemistry, Omidieh Branch, Islamic Azad University, Omidieh, Iran, and bDepartment of Petroleum Engineering, Omidieh Branch, Islamic Azad University, Omidieh, Iran
Correspondence e-mail: sadifchemist@hotmail.com

The title compound, [Cd2Br4(C24H16N2)2], consists of a centrosymmetric dimeric unit in which two Br atoms bridge two CdII atoms, forming a four-membered ring. A terminal Br atom and a bidentate chelating 4,7-diphenyl-1,10-phenanthroline ligand complete a square-pyramidal geometry for the CdII atom. In the crystal, C-H...Br hydrogen bonds and [pi]-[pi] contacts between the pyridine and phenyl rings [centroid-centroid distances = 3.704 (4) and 3.715 (4) Å] lead to a three-dimensional supramolecular structure.

Related literature

For related structures, see: Abedi et al. (2012[Abedi, A., Amani, V. & Safari, N. (2012). Main Group Chem. 11, 223-233.]); Ahmadi et al. (2008[Ahmadi, R., Amani, V. & Khavasi, H. R. (2008). Acta Cryst. E64, m1156-m1157.]); Alizadeh et al. (2010[Alizadeh, R., Amani, V., Farshady, A. A. & Khavasi, H. R. (2010). J. Coord. Chem. 63, 2122-2131.]); Chesnut et al. (2001[Chesnut, D. J., Kusnetzow, A., Birge, R. & Zubieta, J. (2001). J. Chem. Soc. Dalton Trans. pp. 2581-2586.]); Gaballa et al. (2003[Gaballa, A., Wagner, C., Schmidt, H. & Steinborn, D. (2003). Z. Anorg. Allg. Chem. 629, 703-710.]); Yousefi et al. (2008[Yousefi, M., Rashidi Vahid, R., Amani, V., Arab Chamjangali, M. & Khavasi, H. R. (2008). Acta Cryst. E64, m1339-m1340.]).

[Scheme 1]

Experimental

Crystal data
  • [Cd2Br4(C24H16N2)2]

  • Mr = 1209.20

  • Monoclinic, P 21 /n

  • a = 10.1704 (4) Å

  • b = 12.4702 (5) Å

  • c = 17.3444 (7) Å

  • [beta] = 103.187 (3)°

  • V = 2141.73 (15) Å3

  • Z = 2

  • Mo K[alpha] radiation

  • [mu] = 4.76 mm-1

  • T = 120 K

  • 0.25 × 0.18 × 0.15 mm

Data collection
  • Bruker APEXII CCD diffractometer

  • Absorption correction: multi-scan (SADABS; Bruker, 2001[Bruker (2001). SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]) Tmin = 0.385, Tmax = 0.502

  • 12072 measured reflections

  • 4200 independent reflections

  • 3248 reflections with I > 2[sigma](I)

  • Rint = 0.090

Refinement
  • R[F2 > 2[sigma](F2)] = 0.052

  • wR(F2) = 0.129

  • S = 1.05

  • 4200 reflections

  • 262 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 1.15 e Å-3

  • [Delta][rho]min = -1.05 e Å-3

Table 1
Selected bond lengths (Å)

Cd1-N1 2.336 (6)
Cd1-N2 2.349 (6)
Cd1-Br1 2.5537 (9)
Cd1-Br2 2.6653 (8)
Cd1-Br2i 2.7518 (9)
Symmetry code: (i) -x, -y+2, -z.

Table 2
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
C1-H1...Br2i 0.93 2.90 3.554 (7) 129
C21-H21...Br1ii 0.93 2.79 3.582 (8) 144
Symmetry codes: (i) -x, -y+2, -z; (ii) [-x+{\script{1\over 2}}, y+{\script{1\over 2}}, -z+{\script{1\over 2}}].

Data collection: APEX2 (Bruker, 2007[Bruker (2007). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 2007[Bruker (2007). 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: ORTEP-3 (Farrugia, 2012[Farrugia, L. J. (2012). J. Appl. Cryst. 45, 849-854.]) and Mercury (Macrae et al., 2006[Macrae, C. F., Edgington, P. R., McCabe, P., Pidcock, E., Shields, G. P., Taylor, R., Towler, M. & van de Streek, J. (2006). J. Appl. Cryst. 39, 453-457.]); software used to prepare material for publication: SHELXL97.


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: HY2601 ).


Acknowledgements

We are grateful to the Islamic Azad University, Omidieh Branch, for financial support.

References

Abedi, A., Amani, V. & Safari, N. (2012). Main Group Chem. 11, 223-233.  [ChemPort]
Ahmadi, R., Amani, V. & Khavasi, H. R. (2008). Acta Cryst. E64, m1156-m1157.  [CSD] [CrossRef] [ChemPort] [details]
Alizadeh, R., Amani, V., Farshady, A. A. & Khavasi, H. R. (2010). J. Coord. Chem. 63, 2122-2131.  [ISI] [CSD] [CrossRef] [ChemPort]
Bruker (2001). SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.
Bruker (2007). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.
Chesnut, D. J., Kusnetzow, A., Birge, R. & Zubieta, J. (2001). J. Chem. Soc. Dalton Trans. pp. 2581-2586.  [CSD] [CrossRef]
Farrugia, L. J. (2012). J. Appl. Cryst. 45, 849-854.  [ISI] [CrossRef] [ChemPort] [details]
Gaballa, A., Wagner, C., Schmidt, H. & Steinborn, D. (2003). Z. Anorg. Allg. Chem. 629, 703-710.  [CSD] [CrossRef] [ChemPort]
Macrae, C. F., Edgington, P. R., McCabe, P., Pidcock, E., Shields, G. P., Taylor, R., Towler, M. & van de Streek, J. (2006). J. Appl. Cryst. 39, 453-457.  [ISI] [CrossRef] [ChemPort] [details]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Yousefi, M., Rashidi Vahid, R., Amani, V., Arab Chamjangali, M. & Khavasi, H. R. (2008). Acta Cryst. E64, m1339-m1340.  [CSD] [CrossRef] [details]


Acta Cryst (2012). E68, m1471  [ doi:10.1107/S1600536812045928 ]

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