[Journal logo]

Volume 69 
Part 8 
Pages m455-m456  
August 2013  

Received 2 July 2013
Accepted 8 July 2013
Online 13 July 2013

Key indicators
Single-crystal X-ray study
T = 200 K
Mean [sigma](C-C) = 0.003 Å
R = 0.027
wR = 0.074
Data-to-parameter ratio = 14.9
Details
Open access

Bis[[mu]-3,5-bis(pyridin-2-yl)pyrazolato]bis[(hexafluorophosphato)copper(II)]

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

The title dinuclear complex molecule, [Cu2(C13H9N4)2(PF6)2], lies about an inversion center. The CuII atom shows a square-pyramidal coordination geometry with the basal plane formed by four N atoms of the two bis-chelating 3,5-bis(pyridin-2-yl)pyrazolate ions and with one F atom of the hexafluorophosphate ion in the apical position. Molecules are stacked in a column along the a axis through C-H...F hydrogen bonds. The columns are further linked by other C-H...F hydrogen bonds, forming a three-dimensional network.

Related literature

For metal complexes of 3,5-bis(2-pyridyl)pyrazole, see: Klingele et al. (2009[Klingele, J., Dechert, S. & Meyer, F. (2009). Coord. Chem. Rev. 253, 2698-2741.]); 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., Katada, M., 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.]). For an example of a coordinated hexafluorophosphate ion, see: Noro et al. (2011[Noro, S., Ohba, T., Fukuhara, K., Takahashi, Y., Akutagawa, T. & Nakamura, T. (2011). Dalton Trans. 40, 2268-2274.]).

[Scheme 1]

Experimental

Crystal data
  • [Cu2(C13H9N4)2(F6P)2]

  • Mr = 859.52

  • Monoclinic, P 21 /c

  • a = 6.3558 (4) Å

  • b = 21.2388 (14) Å

  • c = 10.9252 (9) Å

  • [beta] = 95.753 (2)°

  • V = 1467.36 (18) Å3

  • Z = 2

  • Mo K[alpha] radiation

  • [mu] = 1.67 mm-1

  • T = 200 K

  • 0.50 × 0.15 × 0.10 mm

Data collection
  • Rigaku R-AXIS RAPID diffractometer

  • Absorption correction: multi-scan (ABSCOR; Higashi, 1995[Higashi, T. (1995). ABSCOR. Rigaku Corporation, Tokyo, Japan.]) Tmin = 0.603, Tmax = 0.845

  • 23498 measured reflections

  • 3364 independent reflections

  • 3035 reflections with F2 > 2[sigma](F2)

  • Rint = 0.028

Refinement
  • R[F2 > 2[sigma](F2)] = 0.027

  • wR(F2) = 0.074

  • S = 1.05

  • 3364 reflections

  • 226 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 0.44 e Å-3

  • [Delta][rho]min = -0.19 e Å-3

Table 1
Selected bond lengths (Å)

Cu1-F1 2.4027 (14)
Cu1-N1i 2.0698 (15)
Cu1-N2i 1.9393 (16)
Cu1-N3 1.9405 (15)
Cu1-N4 2.0577 (17)
Symmetry code: (i) -x, -y+2, -z+1.

Table 2
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
C3-H3...F3ii 0.95 2.31 3.257 (3) 175
C11-H7...F2iii 0.95 2.54 3.451 (3) 162
C12-H8...F5iv 0.95 2.60 3.456 (3) 150
C13-H9...F3iv 0.95 2.52 3.226 (3) 131
Symmetry codes: (ii) [-x-1, y-{\script{1\over 2}}, -z+{\script{1\over 2}}]; (iii) -x+1, -y+2, -z; (iv) x+1, y, z.

Data collection: RAPID-AUTO (Rigaku, 2002[Rigaku (2002). RAPID-AUTO. Rigaku Corporation, Tokyo, Japan.]); cell refinement: RAPID-AUTO; data reduction: RAPID-AUTO; program(s) used to solve structure: Il Milione (Burla et al., 2007[Burla, M. C., Caliandro, R., Camalli, M., Carrozzini, B., Cascarano, G. L., De Caro, L., Giacovazzo, C., Polidori, G., Siliqi, D. & Spagna, R. (2007). J. Appl. Cryst. 40, 609-613.]); 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: IS5289 ).


Acknowledgements

This work was supported by funds (No. 101501) from the Central Research Institute of Fukuoka University and Grant-in-Aids for Science Research (No. 22550067) from the Ministry of Education, Culture, Sports, Science and Technology of Japan.

References

Burla, M. C., Caliandro, R., Camalli, M., Carrozzini, B., Cascarano, G. L., De Caro, L., Giacovazzo, C., Polidori, G., Siliqi, D. & Spagna, R. (2007). J. Appl. Cryst. 40, 609-613.  [Web of Science] [CrossRef] [ChemPort] [IUCr Journals]
Higashi, T. (1995). ABSCOR. Rigaku Corporation, Tokyo, Japan.
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]
Klingele, J., Dechert, S. & Meyer, F. (2009). Coord. Chem. Rev. 253, 2698-2741.  [Web of Science] [CrossRef] [ChemPort]
Mishima, A., Fuyuhiro, A., Kumagai, H. & Kawata, S. (2011). Acta Cryst. E67, m1523-m1524.  [CSD] [CrossRef] [ChemPort] [IUCr Journals]
Noro, S., Ohba, T., Fukuhara, K., Takahashi, Y., Akutagawa, T. & Nakamura, T. (2011). Dalton Trans. 40, 2268-2274.  [CSD] [CrossRef] [ChemPort] [PubMed]
Rigaku (2002). RAPID-AUTO. 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., Katada, M., Kaizaki, S. & Kawata, S. (2006). Angew. Chem. Int. Ed. 45, 5459-5461.  [Web of Science] [CSD] [CrossRef] [ChemPort]


Acta Cryst (2013). E69, m455-m456   [ doi:10.1107/S1600536813018813 ]

This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.