Tris(2,2′-bipyridine-κ2N,N′)cobalt(II) bis­(hexa­fluoridophosphate)

Menteş, A.; Singh, K.

doi:10.1107/S1600536812050234

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 (C-C) = 0.008 Å
R = 0.049
wR = 0.088
Data-to-parameter ratio = 13.6
Details

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

Ayfer Mentes ^a ^* and Kuldip Singh ^b

^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 Co^II 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-HF interactions, forming a three-dimensional network.

Related literature

For related structures, see: Chygorin et al. (2012); Liu et al. (2008, 2010).

Experimental

Crystal data

[Co(C₁₀H₈N₂)₃](PF₆)₂
M_r = 817.42
Trigonal, P 3₂
a = 10.3524 (18) Å
c = 26.140 (6) Å
V = 2426.2 (8) Å³
Z = 3
Mo K radiation
= 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) T_min = 0.581, T_max = 0.862
19252 measured reflections
6285 independent reflections
5344 reflections with I > 2(I)
R_int = 0.087

Refinement

R[F² > 2(F²)] = 0.049
wR(F²) = 0.088
S = 0.94
6285 reflections
461 parameters
1 restraint
H-atom parameters constrained
_max = 0.30 e Å^-3
_min = -0.31 e Å^-3
Absolute structure: Flack (1983), 3114 Friedel pairs
Flack parameter: 0.010 (18)

Table 1
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
C24-H24F2ⁱ	0.95	2.49	3.324 (7)	146
C23-H23F4ⁱ	0.95	2.55	3.253 (7)	131
C18-H18F11ⁱⁱ	0.95	2.52	3.149 (6)	124
C13-H13F10ⁱⁱⁱ	0.95	2.50	3.208 (6)	131
C10-H10F11^iv	0.95	2.51	3.265 (6)	137
C9-H9F7^iv	0.95	2.33	3.136 (6)	142
C7-H7F8^v	0.95	2.38	3.160 (7)	139
C2-H2F2^vi	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); cell refinement: SAINT (Bruker, 2005); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: SHELXTL (Sheldrick, 2008); 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.
Flack, H. D. (1983). Acta Cryst. A39, 876-881.
Liu, W., Xu, W., Lin, J.-L. & Xie, H.-Z. (2008). Acta Cryst. E64, m1586.
Liu, Y., Zhang, X., Xue, Z. & Sheng, J. (2010). Acta Cryst. E66, m756-m757.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.

metal-organic compounds

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