Bis(tetra-n-butyl­ammonium) bis­(5,6-dicyano­pyrazine-2,3-dithiol­ato-κ2S,S′)palladium(II)

Tomura, M.; Yamashita, Y.

doi:10.1107/S1600536811053402

Volume 68
Part 1
Page m57
January 2012

Received 3 December 2011
Accepted 12 December 2011
Online 17 December 2011

Key indicators
Single-crystal X-ray study
T = 296 K
Mean (C-C) = 0.016 Å
R = 0.093
wR = 0.222
Data-to-parameter ratio = 17.8
Details

Bis(tetra-n-butylammonium) bis(5,6-dicyanopyrazine-2,3-dithiolato-²S,S')palladium(II)

Masaaki Tomura ^a ^* and Yoshiro Yamashita ^b

^aInstitute for Molecular Science, Myodaiji, Okazaki 444-8585, Japan, and ^bDepartment of Electronic Chemistry, Interdisciplinary Graduate School of Science and Engineering, Tokyo Institute of Technology, Nagatsuta, Midori-ku, Yokohama 226-8502, Japan
Correspondence e-mail: tomura@ims.ac.jp

In the title complex, (C₁₆H₃₆N)₂[Pd(C₆N₄S₂)₂], the centrosymmetric dianion is planar, with an r.m.s. deviation of 0.034 (8) Å. The Pd^II atom, lying on an inversion center, has a square-planar coordination geometry, with Pd-S bond lengths of 2.276 (3) and 2.294 (3) Å.

Related literature

For the synthesis of the title complex, see: Tomura et al. (1994). For molecular conductors and superconductors based on metal dithiolene complexes, see: Brossard et al. (1986); Cassoux et al. (1991); Kobayashi et al. (1987); Tajima et al. (1993); Tanaka et al. (2001). For related structures, including the 2,3-dicyano-5,6-dimercaptopyrazine system, see: Belo et al. (1999, 2004); Nomura et al. (2009); Rabaça & Almeida (2010). For related structures, including the 1,2-dicyano-4,5-dimercaptobenzene system, see: Alves et al. (2004). For intermolecular interactions caused by heteroatoms, see: Yamashita & Tomura (1998).

Experimental

Crystal data

(C₁₆H₃₆N)₂[Pd(C₆N₄S₂)₂]
M_r = 975.80
Triclinic, $[P \overline 1]$
a = 9.912 (3) Å
b = 10.635 (4) Å
c = 13.286 (4) Å
= 68.82 (2)°
= 87.74 (3)°
= 80.16 (3)°
V = 1286.3 (8) Å³
Z = 1
Mo K radiation
= 0.56 mm^-1
T = 296 K
0.25 × 0.10 × 0.05 mm

Data collection

Rigaku AFC-7R diffractometer
5102 measured reflections
4835 independent reflections
1751 reflections with I > 2(I)
R_int = 0.087
3 standard reflections every 150 reflections intensity decay: 1.0%

Refinement

R[F² > 2(F²)] = 0.093
wR(F²) = 0.222
S = 0.98
4835 reflections
272 parameters
H-atom parameters constrained
_max = 0.39 e Å^-3
_min = -0.41 e Å^-3

Data collection: MSC/AFC Diffractometer Control Software (Molecular Structure Corporation, 1988 $[Molecular Structure Corporation (1988). MSC/AFC Diffractometer Control Software. MSC, The Woodlands, Texas, USA.]$ ); cell refinement: MSC/AFC Diffractometer Control Software; data reduction: TEXSAN (Molecular Structure Corporation & Rigaku, 2000); program(s) used to solve structure: SIR97 (Altomare et al., 1999); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: PLATON (Spek, 2009); software used to prepare material for publication: SHELXL97.

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: HY2494 ).

Acknowledgements

The authors thank the Instrument Center of the Institute for Molecular Science for the X-ray crystallographic analysis.

References

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