[Journal logo]

Volume 69 
Part 8 
Pages m450-m451  
August 2013  

Received 2 July 2013
Accepted 5 July 2013
Online 13 July 2013

Key indicators
Single-crystal X-ray study
T = 295 K
Mean [sigma](C-C) = 0.007 Å
R = 0.049
wR = 0.117
Data-to-parameter ratio = 13.8
Details
Open access

Tetrakis(pyridine-[kappa]N)bis(tetrafluoridoborato-[kappa]F)copper(II)

aInstitute of Fundamental Sciences, Massey University, Private Bag 11 222, Palmerston North, New Zealand
Correspondence e-mail: P.G.Plieger@massey.ac.nz

In the title complex, [Cu(BF4)2(C5H5N)2], the CuII ion is in an octahedral coordination environment and is surrounded by four pyridine and two tetrafluoridoborate molecules. The four pyridine molecules are coordinated to the copper ion through their N atoms in the equatorial plane and display a right-handed screw arrangement around the CuII ion. The remaining two trans positions in the octahedron are occupied by the BF4- anions, each coordinating weakly through an F atom. The crystal packing shows a two-dimensional sheet structure parallel to the ab plane that is formed by C-H...F hydrogen-bonding interactions.

Related literature

For related [Cu(C5H5N)4Y2] complexes (where Y = ClO4-, NO3-, BF4-, PF6-, SO3CF3-) see: Ibers (1953[Ibers, J. A. (1953). Acta Cryst. 6, 367.]); Brown et al. (1966[Brown, D. H., Nuttall, R. H., McAvoy, J. & Sharp, D. W. A. (1966). J. Chem. Soc. A, pp. 892-896.]); Alleyne & Thompson (1974[Alleyne, C. S. & Thompson, R. C. (1974). Can. J. Chem. 52, 3218-3228.]); Pradilla Sorzano et al. (1979[Pradilla Sorzano, J., Chen, H. W., Koknat, F. W. & Fackler, J. P. Jr (1979). Inorg. Chem. 18, 3519-3522.]); Barker & Stobart (1980[Barker, P. J. & Stobart, S. R. (1980). Inorg. Chim. Acta, 45, L197-L198.]); Haynes et al. (1988[Haynes, J. S., Rettig, S. J., Sams, J. R., Trotter, J. & Thompson, R. C. (1988). Inorg. Chem. 27, 1237-1241.]); Agnus et al. (1994[Agnus, Y., Labarelle, M., Louis, R. & Metz, B. (1994). Acta Cryst. C50, 536-538.]); Beurskens et al. (1995[Beurskens, G., Martens, C. F., Nolte, R. J. M., Beurskens, P. T. & Smits, J. M. M. (1995). J. Chem. Crystallogr. 25, 425-427.]); Li & Zhang (2004[Li, Z.-X. & Zhang, X.-L. (2004). Acta Cryst. E60, m1597-m1598.]); Bowmaker et al. (2011[Bowmaker, G. A., Di Nicola, C., Pettinari, C., Skelton, B. W., Somers, N. & White, A. H. (2011). Dalton Trans. 40, 5102-5115.]). For CuII complexes containing an N4F2 donor set, see: Su & Li (1994[Su, C. & Li, C. (1994). Polyhedron 13, 825-834.]); Heier et al. (1998[Heier, K. R., Norquist, A. J., Wilson, C. G., Stern, C. L. & Poeppelmeier, K. R. (1998). Inorg. Chem. 37, 76-80.]); Conner et al. (2006[Conner, M., McConnell, A., Schlueter, J. A. & Manson, J. L. (2006). J. Low Temp. Phys. 142, 273-278.]); Noro et al. (2009[Noro, S., Tanaka, D., Sakamoto, H., Shimomura, S., Kitagawa, S., Takeda, S., Uemura, K., Kita, H., Akutagawa, T. & Nakamura, T. (2009). Chem. Mater. 21, 3346-3355.], 2011[Noro, S., Ohba, T., Fukuhara, K., Takahashi, Y., Akutagawa, T. & Nakamura, T. (2011). Dalton Trans. 40, 2268-2274.]).

[Scheme 1]

Experimental

Crystal data
  • [Cu(BF4)2(C5H5N)4]

  • Mr = 553.56

  • Orthorhombic, P 21 21 21

  • a = 10.162 (3) Å

  • b = 13.831 (5) Å

  • c = 16.350 (4) Å

  • V = 2298.0 (12) Å3

  • Z = 4

  • Cu K[alpha] radiation

  • [mu] = 2.10 mm-1

  • T = 295 K

  • 0.20 × 0.14 × 0.14 mm

Data collection
  • Rigaku Spider X-ray diffractometer

  • Absorption correction: multi-scan (CrystalClear-SM Expert; Rigaku, 2005[Rigaku, (2005). CrystalClear-SM Expert. Rigaku Americas Corporation, The Woodlands, Texas, USA.]) Tmin = 0.769, Tmax = 1

  • 17937 measured reflections

  • 4378 independent reflections

  • 3186 reflections with I > 2[sigma](I)

  • Rint = 0.065

Refinement
  • R[F2 > 2[sigma](F2)] = 0.049

  • wR(F2) = 0.117

  • S = 1.01

  • 4378 reflections

  • 317 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 0.39 e Å-3

  • [Delta][rho]min = -0.68 e Å-3

  • Absolute structure: Flack (1983[Flack, H. D. (1983). Acta Cryst. A39, 876-881.]), 1868 Friedel pairs

  • Flack parameter: 0.22 (5)

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
C7-H7...F5i 0.93 2.63 3.016 (6) 105
C7-H7...F8i 0.93 2.51 3.380 (6) 155
C13-H13...F6ii 0.93 2.5 3.135 (6) 126
C17-H17...F5iii 0.93 2.51 3.169 (6) 128
Symmetry codes: (i) [-x+1, y-{\script{1\over 2}}, -z+{\script{1\over 2}}]; (ii) [-x+1, y+{\script{1\over 2}}, -z+{\script{1\over 2}}]; (iii) x+1, y, z.

Data collection: CrystalClear-SM Expert (Rigaku, 2005[Rigaku, (2005). CrystalClear-SM Expert. Rigaku Americas Corporation, The Woodlands, Texas, USA.]); cell refinement: CrystalClear-SM Expert; data reduction: CrystalClear-SM Expert; program(s) used to solve structure: SIR92 (Altomare et al., 1993[Altomare, A., Cascarano, G., Giacovazzo, C. & Guagliardi, A. (1993). J. Appl. Cryst. 26, 343-350.]); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); molecular graphics: ORTEP-3 for Windows (Farrugia, 2012[Farrugia, L. J. (2012). J. Appl. Cryst. 45, 849-854.]); software used to prepare material for publication: WinGX (Farrugia, 2012[Farrugia, L. J. (2012). J. Appl. Cryst. 45, 849-854.]).


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: SJ5342 ).


Acknowledgements

APSP would like to acknowledge Massey University for the Post-Doctoral fellowship. PGP would like to acknowledge financial assistance from the Massey University Research Fund.

References

Agnus, Y., Labarelle, M., Louis, R. & Metz, B. (1994). Acta Cryst. C50, 536-538.  [CrossRef] [IUCr Journals]
Alleyne, C. S. & Thompson, R. C. (1974). Can. J. Chem. 52, 3218-3228.  [CrossRef] [ChemPort] [Web of Science]
Altomare, A., Cascarano, G., Giacovazzo, C. & Guagliardi, A. (1993). J. Appl. Cryst. 26, 343-350.  [CrossRef] [Web of Science] [IUCr Journals]
Barker, P. J. & Stobart, S. R. (1980). Inorg. Chim. Acta, 45, L197-L198.  [CrossRef] [ChemPort] [Web of Science]
Beurskens, G., Martens, C. F., Nolte, R. J. M., Beurskens, P. T. & Smits, J. M. M. (1995). J. Chem. Crystallogr. 25, 425-427.  [CrossRef] [ChemPort] [Web of Science]
Bowmaker, G. A., Di Nicola, C., Pettinari, C., Skelton, B. W., Somers, N. & White, A. H. (2011). Dalton Trans. 40, 5102-5115.  [CSD] [CrossRef] [ChemPort] [PubMed]
Brown, D. H., Nuttall, R. H., McAvoy, J. & Sharp, D. W. A. (1966). J. Chem. Soc. A, pp. 892-896.
Conner, M., McConnell, A., Schlueter, J. A. & Manson, J. L. (2006). J. Low Temp. Phys. 142, 273-278.  [Web of Science] [CSD] [CrossRef] [ChemPort]
Farrugia, L. J. (2012). J. Appl. Cryst. 45, 849-854.  [Web of Science] [CrossRef] [ChemPort] [IUCr Journals]
Flack, H. D. (1983). Acta Cryst. A39, 876-881.  [CrossRef] [IUCr Journals]
Haynes, J. S., Rettig, S. J., Sams, J. R., Trotter, J. & Thompson, R. C. (1988). Inorg. Chem. 27, 1237-1241.  [CrossRef] [ChemPort] [Web of Science]
Heier, K. R., Norquist, A. J., Wilson, C. G., Stern, C. L. & Poeppelmeier, K. R. (1998). Inorg. Chem. 37, 76-80.  [Web of Science] [CrossRef] [PubMed] [ChemPort]
Ibers, J. A. (1953). Acta Cryst. 6, 367.  [CrossRef] [IUCr Journals]
Li, Z.-X. & Zhang, X.-L. (2004). Acta Cryst. E60, m1597-m1598.  [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]
Noro, S., Tanaka, D., Sakamoto, H., Shimomura, S., Kitagawa, S., Takeda, S., Uemura, K., Kita, H., Akutagawa, T. & Nakamura, T. (2009). Chem. Mater. 21, 3346-3355.  [Web of Science] [CSD] [CrossRef] [ChemPort]
Pradilla Sorzano, J., Chen, H. W., Koknat, F. W. & Fackler, J. P. Jr (1979). Inorg. Chem. 18, 3519-3522.
Rigaku, (2005). CrystalClear-SM Expert. Rigaku Americas Corporation, The Woodlands, Texas, USA.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [ChemPort] [IUCr Journals]
Su, C. & Li, C. (1994). Polyhedron 13, 825-834.  [CrossRef] [ChemPort] [Web of Science]


Acta Cryst (2013). E69, m450-m451   [ doi:10.1107/S1600536813018643 ]

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.