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Volume 69 
Part 11 
Page m574  
November 2013  

Received 9 September 2013
Accepted 26 September 2013
Online 2 October 2013

Key indicators
Single-crystal X-ray study
T = 110 K
Mean [sigma](C-C) = 0.004 Å
R = 0.023
wR = 0.060
Data-to-parameter ratio = 17.9
Details
Open access

Bis[[mu]-3,5-bis­(pyridin-2-yl)-1H-pyrazole]­bis­[di­bromido­iron(III)]

aDepartment of Chemistry, Faculty of Science, Fukuoka University, Nanakuma, Jonan-ku, Fukuoka 814-0180, Japan,bDepartment of Chemistry, Graduate School of Science, Osaka University, Toyonaka, Osaka 560-0043, Japan, and cDepartment of Chemistry, Graduate School of Science and Technology, Kumamoto University, Kurokami, Kumamoto 860-8555, Japan
Correspondence e-mail: kawata@fukuoka-u.ac.jp

The title dinuclear complex, [Fe2Br4(C13H9N4)2], which lies on an inversion center, features two approximately planar bis­(pyridin-2-yl)pyrazole (bpypz-) ligands [maximum deviation = 0.082 (3) Å] and four bromide ions. Each FeIII ion is octa­hedrally coordinated by four N atoms of two bpypz- ligands and two Br ions. [pi]-[pi] stacking inter­actions [centroid-centroid distances = 3.7004 (17)-4.0123 (18) Å] are observed between pyridyl and pyrazole rings, and between pyridyl and pyridyl rings of adjacent complex mol­ecules.

Related literature

For metal complexes of 3,5-bis­(pyridin-2-yl)pyrazole, see: Yoneda, Adachi, Hayami et al. (2006[Yoneda, K., Adachi, K., Hayami, S., Maeda, Y., Katada, M., Fuyuhiro, A., Kawata, S. & Kaizaki, S. (2006). Chem. Commun. pp. 45-47.]); Yoneda, Adachi, Nishio et al. (2006[Yoneda, K., Adachi, K., Nishio, K., Yamasaki, M., Fuyuhiro, A., Kaizaki, S. & Kawata, S. (2006). Angew. Chem. Int. Ed. 45, 5459-5461.]); Ishikawa et al. (2010[Ishikawa, R., Nakano, M., Fuyuhiro, A., Takeuchi, T., Kimura, S., Kashiwagi, T., Hagiwara, M., Kindo, K., Kaizaki, S. & Kawata, S. (2010). Chem. Eur. J. 16, 11139-11144.]); Mishima et al. (2011[Mishima, A., Fuyuhiro, A., Kumagai, H. & Kawata, S. (2011). Acta Cryst. E67, m1523-m1524.]); Washizaki et al. (2012[Washizaki, T., Ishikawa, R., Yoneda, K., Kitagawa, S., Kaizaki, S., Fuyuhiro, A. & Kawata, S. (2012). RSC Adv. 2, 12169-12172.]).

[Scheme 1]

Experimental

Crystal data
  • [Fe2(C13H9N4)2Br4]

  • Mr = 873.79

  • Monoclinic, C 2/c

  • a = 18.180 (4) Å

  • b = 14.857 (3) Å

  • c = 10.530 (3) Å

  • [beta] = 94.646 (3)°

  • V = 2834.7 (10) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 6.71 mm-1

  • T = 110 K

  • 0.10 × 0.10 × 0.10 mm

Data collection
  • Rigaku Saturn724 diffractometer

  • Absorption correction: multi-scan (REQAB; Rigaku, 1998[Rigaku (1998). REQAB. Rigaku Corporation, Tokyo, Japan.]) Tmin = 0.408, Tmax = 0.511

  • 16288 measured reflections

  • 3246 independent reflections

  • 2730 reflections with I > 2[sigma](I)

  • Rint = 0.031

Refinement
  • R[F2 > 2[sigma](F2)] = 0.023

  • wR(F2) = 0.060

  • S = 1.05

  • 3246 reflections

  • 181 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 0.70 e Å-3

  • [Delta][rho]min = -0.46 e Å-3

Table 1
Selected bond lengths (Å)

Br1-Fe1 2.5119 (6)
Br2-Fe1 2.4652 (6)
Fe1-N1 2.1882 (19)
Fe1-N2 2.070 (2)
Fe1-N3i 2.0683 (19)
Fe1-N4i 2.183 (2)
Symmetry code: (i) [-x+{\script{1\over 2}}, -y+{\script{1\over 2}}, -z+1].

Data collection: CrystalClear (Rigaku, 2008[Rigaku (2008). CrystalClear. Rigaku Corporation, Tokyo, Japan.]); cell refinement: CrystalClear; data reduction: CrystalClear; 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: CrystalStructure (Rigaku, 2010[Rigaku (2010). CrystalStructure. Rigaku Corporation, Tokyo, Japan.]); software used to prepare material for publication: CrystalStructure.


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: IS5304 ).


Acknowledgements

This work was supported by the fund Grant-in-Aids for Science Research (No. 25410078) from the Ministry of Education, Culture, Sports, Science and Technology of Japan.

References

Ishikawa, R., Nakano, M., Fuyuhiro, A., Takeuchi, T., Kimura, S., Kashiwagi, T., Hagiwara, M., Kindo, K., Kaizaki, S. & Kawata, S. (2010). Chem. Eur. J. 16, 11139-11144.  [CSD] [CrossRef] [ChemPort] [PubMed]
Mishima, A., Fuyuhiro, A., Kumagai, H. & Kawata, S. (2011). Acta Cryst. E67, m1523-m1524.  [CSD] [CrossRef] [ChemPort] [IUCr Journals]
Rigaku (1998). REQAB. Rigaku Corporation, Tokyo, Japan.
Rigaku (2008). CrystalClear. Rigaku Corporation, Tokyo, Japan.
Rigaku (2010). CrystalStructure. Rigaku Corporation, Tokyo, Japan.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [ChemPort] [IUCr Journals]
Washizaki, T., Ishikawa, R., Yoneda, K., Kitagawa, S., Kaizaki, S., Fuyuhiro, A. & Kawata, S. (2012). RSC Adv. 2, 12169-12172.  [CSD] [CrossRef] [ChemPort]
Yoneda, K., Adachi, K., Hayami, S., Maeda, Y., Katada, M., Fuyuhiro, A., Kawata, S. & Kaizaki, S. (2006). Chem. Commun. pp. 45-47.  [CSD] [CrossRef]
Yoneda, K., Adachi, K., Nishio, K., Yamasaki, M., Fuyuhiro, A., Kaizaki, S. & Kawata, S. (2006). Angew. Chem. Int. Ed. 45, 5459-5461.  [Web of Science] [CSD] [CrossRef] [ChemPort]


Acta Cryst (2013). E69, m574  [ doi:10.1107/S1600536813026573 ]

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