[Journal logo]

Volume 69 
Part 1 
Page m58  
January 2013  

Received 15 November 2012
Accepted 9 December 2012
Online 15 December 2012

Key indicators
Single-crystal X-ray study
T = 150 K
Mean [sigma](C-C) = 0.008 Å
R = 0.049
wR = 0.088
Data-to-parameter ratio = 13.6
Details
Open access

Tris(2,2'-bipyridine-[kappa]2N,N')cobalt(II) bis(hexafluoridophosphate)

aAksaray University, Faculty of Arts and Sciences, Department of Chemistry, 68100 Aksaray, Turkey, and bDepartment of Chemistry, Leicester University, Leicester LE1 7RH, England
Correspondence e-mail: amentes@aksaray.edu.tr

In the title compound, [Co(C10H8N2)3](PF6)2, the CoII atom is coordinated by the six N atoms of three 2,2'-bipyridyl ligands and adopts a highly distorted octahedral geometry. The crystal used was a merohedral twin, the refined ratio of twin components being 0.820 (1):0.180 (1). The crystal structure features weak C-H...F interactions, forming a three-dimensional network.

Related literature

For related structures, see: Chygorin et al. (2012[Chygorin, E. N., Petrusenko, S. R., Kokozay, V. N., Omelchenko, I. V. & Shishkin, O. V. (2012). Acta Cryst. E68, m233-m234.]); Liu et al. (2008[Liu, W., Xu, W., Lin, J.-L. & Xie, H.-Z. (2008). Acta Cryst. E64, m1586.], 2010[Liu, Y., Zhang, X., Xue, Z. & Sheng, J. (2010). Acta Cryst. E66, m756-m757.]).

[Scheme 1]

Experimental

Crystal data
  • [Co(C10H8N2)3](PF6)2

  • Mr = 817.42

  • Trigonal, P 32

  • a = 10.3524 (18) Å

  • c = 26.140 (6) Å

  • V = 2426.2 (8) Å3

  • Z = 3

  • Mo K[alpha] radiation

  • [mu] = 0.73 mm-1

  • T = 150 K

  • 0.35 × 0.16 × 0.13 mm

Data collection
  • Bruker APEX 2000 CCD area-detector diffractometer

  • Absorption correction: multi-scan (SADABS; Bruker, 2005[Bruker (2005). APEX2, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]) Tmin = 0.581, Tmax = 0.862

  • 19252 measured reflections

  • 6285 independent reflections

  • 5344 reflections with I > 2[sigma](I)

  • Rint = 0.087

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

  • wR(F2) = 0.088

  • S = 0.94

  • 6285 reflections

  • 461 parameters

  • 1 restraint

  • H-atom parameters constrained

  • [Delta][rho]max = 0.30 e Å-3

  • [Delta][rho]min = -0.31 e Å-3

  • Absolute structure: Flack (1983[Flack, H. D. (1983). Acta Cryst. A39, 876-881.]), 3114 Friedel pairs

  • Flack parameter: 0.010 (18)

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
C24-H24...F2i 0.95 2.49 3.324 (7) 146
C23-H23...F4i 0.95 2.55 3.253 (7) 131
C18-H18...F11ii 0.95 2.52 3.149 (6) 124
C13-H13...F10iii 0.95 2.50 3.208 (6) 131
C10-H10...F11iv 0.95 2.51 3.265 (6) 137
C9-H9...F7iv 0.95 2.33 3.136 (6) 142
C7-H7...F8v 0.95 2.38 3.160 (7) 139
C2-H2...F2vi 0.95 2.33 3.081 (7) 136
Symmetry codes: (i) [-y, x-y, z-{\script{1\over 3}}]; (ii) [-x+y-1, -x+1, z+{\script{1\over 3}}]; (iii) [-x+y-1, -x, z+{\script{1\over 3}}]; (iv) x, y-1, z; (v) x+1, y, z; (vi) x, y+1, z.

Data collection: APEX2 (Bruker, 2005[Bruker (2005). APEX2, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 2005[Bruker (2005). APEX2, SAINT and SADABS. 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: SHELXTL (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); software used to prepare material for publication: SHELXTL.


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: LR2090 ).


Acknowledgements

The authors are grateful to Leicester University for the use of the X-ray diffractometer.

References

Bruker (2005). APEX2, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.
Chygorin, E. N., Petrusenko, S. R., Kokozay, V. N., Omelchenko, I. V. & Shishkin, O. V. (2012). Acta Cryst. E68, m233-m234.  [CSD] [CrossRef] [details]
Flack, H. D. (1983). Acta Cryst. A39, 876-881.  [CrossRef] [details]
Liu, W., Xu, W., Lin, J.-L. & Xie, H.-Z. (2008). Acta Cryst. E64, m1586.  [CSD] [CrossRef] [details]
Liu, Y., Zhang, X., Xue, Z. & Sheng, J. (2010). Acta Cryst. E66, m756-m757.  [CrossRef] [details]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]


Acta Cryst (2013). E69, m58  [ doi:10.1107/S1600536812050234 ]

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.