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Volume 68 
Part 11 
Page m1329  
November 2012  

Received 15 September 2012
Accepted 27 September 2012
Online 6 October 2012

Key indicators
Single-crystal X-ray study
T = 298 K
Mean [sigma](C-C) = 0.010 Å
R = 0.044
wR = 0.129
Data-to-parameter ratio = 12.1
Details
Open access

Bis[5-(pyridin-2-yl)pyrazine-2-carbonitrile-[kappa]2N4,N5](trifluoroacetato-[kappa]O)silver(I)

aTianjin Entry-Exit Inspection and Quarantine Bureau, Tianjin 300201, People's Republic of China, and bDisease Hospital of TianJin City, Tianjin 300201, People's Republic of China
Correspondence e-mail: yanjiuyuan_lee@126.com

In the asymmetric unit of the title compound, [Ag(C10H6N4)2(CF3CO2)], there two mononuclear but slightly different complex units. In each, two [kappa]2N:N-chelating 5-(pyridin-2-yl)pyrazine-2-carbonitrile ligands surround the AgI atom, giving an N4O square-pyramidal coordination geometry with one trifluoroacetate O atom at the apex. The difference between the two lies in the Ag-N bond lengths: in one complex, three normal [range 2.272 (5)-2.552 (5) Å] and one long [2.706 (4) Å] and in the second, two normal [2.254 (5) and 2.290 (5) Å] and two long [2.647 (5) and 2.675 (5) Å] are present. Short intermolecular F...F contacts [2.586 (4) Å] and weak [pi]-[pi] stacking interactions [minimum ring centroid separation 3.836 (5) Å] between pyridyl and pyrazinyl rings connect the complex units, forming columns which extend along the b-axis direction.

Related literature

For metal complexes with pyridyl-based ligands, see: Wang et al. (2009[Wang, Y., Zhao, X.-Q., Shi, W., Cheng, P., Liao, D.-Z. & Yan, S.-P. (2009). Cryst. Growth Des. 9, 2137-2145.]); O'Keeffe & Yaghi (2012[O'Keeffe, M. & Yaghi, O. M. (2012). Chem. Rev. 112, 675-702.]); Choudhury et al. (2002[Choudhury, A. R., Urs, U. K., Nagarajan, K. & Row, T. N. G. (2002). J. Mol. Struct. 605, 71-75.]). For complexes with 5-(pyridin-2-yl)pyrazine-2-carbonitrile, see: Wang et al. (2010[Wang, Z.-J., Zhang, F. & Wan, C.-Q. (2010). Acta Cryst. E66, m1232-m1233.]); Zhang & Yang (2011[Zhang, F. & Yang, Y.-L. (2011). Acta Cryst. E67, m1863.]). For van der Waals radii, see: Pauling (1960[Pauling, L. (1960). The Nature of the Chemical Bond, p. 260. New York: Cornell University Press.]).

[Scheme 1]

Experimental

Crystal data
  • [Ag(C10H6N4)2(C2F3O2)]

  • Mr = 585.27

  • Orthorhombic, P 21 21 21

  • a = 12.5237 (16) Å

  • b = 14.9638 (18) Å

  • c = 23.845 (3) Å

  • V = 4468.6 (10) Å3

  • Z = 8

  • Mo K[alpha] radiation

  • [mu] = 0.97 mm-1

  • T = 298 K

  • 0.41 × 0.31 × 0.29 mm

Data collection
  • Bruker APEXII CCD area detector diffractometer

  • Absorption correction: multi-scan (SADABS; Bruker, 2007[Bruker (2007). APEX2, SADABS and SAINT. Bruker AXS Inc., Madison,Wisconsin, USA.]) Tmin = 0.861, Tmax = 1.000

  • 24472 measured reflections

  • 7881 independent reflections

  • 6180 reflections with I > 2[sigma](I)

  • Rint = 0.035

Refinement
  • R[F2 > 2[sigma](F2)] = 0.044

  • wR(F2) = 0.129

  • S = 1.02

  • 7881 reflections

  • 649 parameters

  • 10 restraints

  • H-atom parameters constrained

  • [Delta][rho]max = 0.97 e Å-3

  • [Delta][rho]min = -0.64 e Å-3

  • Absolute structure: Flack (1983[Flack, H. D. (1983). Acta Cryst. A39, 876-881.]), 3488 Friedel pairs

  • Flack parameter: -0.10 (4)

Data collection: APEX2 (Bruker 2007[Bruker (2007). APEX2, SADABS and SAINT. Bruker AXS Inc., Madison,Wisconsin, USA.]); cell refinement: APEX2 and SAINT (Bruker 2007[Bruker (2007). APEX2, SADABS and SAINT. 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 and PLATON (Spek, 2009[Spek, A. L. (2009). Acta Cryst. D65, 148-155.]).


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: ZS2235 ).


Acknowledgements

The authors are grateful for financial support from the Science and Technology Program, Tianjin Municipal Commission.

References

Bruker (2007). APEX2, SADABS and SAINT. Bruker AXS Inc., Madison,Wisconsin, USA.
Choudhury, A. R., Urs, U. K., Nagarajan, K. & Row, T. N. G. (2002). J. Mol. Struct. 605, 71-75.  [ISI] [CSD] [CrossRef] [ChemPort]
Flack, H. D. (1983). Acta Cryst. A39, 876-881.  [CrossRef] [details]
O'Keeffe, M. & Yaghi, O. M. (2012). Chem. Rev. 112, 675-702.  [ISI] [ChemPort] [PubMed]
Pauling, L. (1960). The Nature of the Chemical Bond, p. 260. New York: Cornell University Press.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Spek, A. L. (2009). Acta Cryst. D65, 148-155.  [ISI] [CrossRef] [details]
Wang, Z.-J., Zhang, F. & Wan, C.-Q. (2010). Acta Cryst. E66, m1232-m1233.  [CSD] [CrossRef] [details]
Wang, Y., Zhao, X.-Q., Shi, W., Cheng, P., Liao, D.-Z. & Yan, S.-P. (2009). Cryst. Growth Des. 9, 2137-2145.  [CSD] [CrossRef] [ChemPort]
Zhang, F. & Yang, Y.-L. (2011). Acta Cryst. E67, m1863.  [CSD] [CrossRef] [details]


Acta Cryst (2012). E68, m1329  [ doi:10.1107/S1600536812040846 ]

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