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Volume 68 
Part 1 
Page m89  
January 2012  

Received 25 November 2011
Accepted 20 December 2011
Online 23 December 2011

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Key indicators
Single-crystal X-ray study
T = 293 K
Mean [sigma](C-C) = 0.005 Å
R = 0.026
wR = 0.057
Data-to-parameter ratio = 15.8
Details
Open access

cis-Bis(4-methylpiperazine-1-carbodithioato-[kappa]2S,S')bis(pyridine-[kappa]N)cadmium

P. Valarmathi,a S. Thirumaran,a Kamini Kapoor,b Vivek K. Guptab and Rajni Kantb*

aDepartment of Chemistry, Annamalai University, Annamalainagar 608 002, India, and bX-ray Crystallography Laboratory, Post-Graduate Department of Physics & Electronics, University of Jammu, Jammu Tawi 180 006, India
Correspondence e-mail: rkvk.paper11@gmail.com

In the title complex, [Cd(C6H11N2S2)2(C5H5N)2], the CdII ion is hexacoordinated by two N atoms from two pyridine ligands and by four S atoms from two dithiocarbamate ligands in a distorted octahedral geometry. The CdII ion lies on a twofold axis. The piperazine ring is in chair conformation and its least-squares plane makes a dihedral angle of 81.4 (1)° with that of the pyridine ring.

Related literature

For background to and applications of dithiocarbamates, see: Bessergenev et al. (1997[Bessergenev, V. G., Ivanova, E. N., Kovalevskaya, Y. A., Vasilieva, I. G., Varand, V. L., Zemskova, S. M., Larinov, S. V., Kolesov, B. A., Ayupov, B. M. & Logvinenko, V. A. (1997). Thin Solid Films, 32, 1403-1410.]); Havel (1975[Havel, H. J. (1975). Semiconductors/Semimetals, Solar Cells, Vol. 11, New York: Academic Press.]); Valarmathi et al. (2011[Valarmathi, P., Thirumaran, S., Ragi, P. & Ciattini, S. (2011). J. Coord. Chem. 64, 4157-4167.]); Pickett & O'Brien (2001[Pickett, N. L. & O'Brien, P. (2001). Chem. Rec. 1, 467-479.]). For related structures, see: Ivanov et al. (2006[Ivanov, A. V., Gerasimenko, A. V., Konzelko, A. A., Ivanov, M. A., Antzutkin, O. N. & Forsling, W. (2006). Inorg. Chim. Acta, 359, 3855-3864.]); Onwudiwe & Ajibade (2010[Onwudiwe, D. C. & Ajibade, P. A. (2010). Polyhedron, 29, 1431-1436.]); Yin et al. (2004[Yin, X., Zhang, W., Zhang, Q., Fan, J., Lai, C. S. & Tiekink, E. R. T. (2004). Appl. Organomet. Chem. 18, 139-140.]).

[Scheme 1]

Experimental

Crystal data

  • [Cd(C6H11N2S2)2(C5H5N)2]

  • Mr = 621.18

  • Monoclinic, C 2/c

  • a = 17.7065 (7) Å

  • b = 8.7806 (6) Å

  • c = 20.6171 (8) Å

  • [beta] = 122.276 (5)°

  • V = 2710.1 (2) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 1.14 mm-1

  • T = 293 K

  • 0.3 × 0.2 × 0.2 mm
Data collection

  • Oxford Diffraction Xcalibur Sapphire3 diffractometer

  • Absorption correction: multi-scan (CrysAlis RED; Oxford Diffraction, 2010[Oxford Diffraction (2010). CrysAlis PRO and CrysAlis RED. Oxford Diffraction Ltd, Yarnton, England.]) Tmin = 0.645, Tmax = 1.000

  • 24135 measured reflections

  • 2383 independent reflections

  • 2088 reflections with I > 2[sigma](I)

  • Rint = 0.047
Refinement

  • R[F2 > 2[sigma](F2)] = 0.026

  • wR(F2) = 0.057

  • S = 1.07

  • 2383 reflections

  • 151 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 0.40 e Å-3

  • [Delta][rho]min = -0.30 e Å-3

Data collection: CrysAlis PRO (Oxford Diffraction, 2010[Oxford Diffraction (2010). CrysAlis PRO and CrysAlis RED. Oxford Diffraction Ltd, Yarnton, England.]); cell refinement: CrysAlis PRO; data reduction: CrysAlis RED (Oxford Diffraction, 2010[Oxford Diffraction (2010). CrysAlis PRO and CrysAlis RED. Oxford Diffraction Ltd, Yarnton, England.]); 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: ORTEP-3 (Farrugia, 1997[Farrugia, L. J. (1997). J. Appl. Cryst. 30, 565.]); software used to prepare material for publication: PLATON (Spek, 2009[Spek, A. L. (2009). Acta Cryst. D65, 148-155.]) and PARST (Nardelli, 1995[Nardelli, M. (1995). J. Appl. Cryst. 28, 659.]).

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: NC2258 ).

Acknowledgements

RK acknowledges the Department of Science & Technology for the diffractometer sanctioned as a National Facility under project No. SR/S2/CMP-47/2003. He is also thankful to the University of Jammu, Jammu, for financial support.

References

Bessergenev, V. G., Ivanova, E. N., Kovalevskaya, Y. A., Vasilieva, I. G., Varand, V. L., Zemskova, S. M., Larinov, S. V., Kolesov, B. A., Ayupov, B. M. & Logvinenko, V. A. (1997). Thin Solid Films, 32, 1403-1410.  [ChemPort]
Farrugia, L. J. (1997). J. Appl. Cryst. 30, 565.  [CrossRef] [details]
Havel, H. J. (1975). Semiconductors/Semimetals, Solar Cells, Vol. 11, New York: Academic Press.
Ivanov, A. V., Gerasimenko, A. V., Konzelko, A. A., Ivanov, M. A., Antzutkin, O. N. & Forsling, W. (2006). Inorg. Chim. Acta, 359, 3855-3864.  [ISI] [CSD] [CrossRef] [ChemPort]
Nardelli, M. (1995). J. Appl. Cryst. 28, 659.  [CrossRef] [details]
Onwudiwe, D. C. & Ajibade, P. A. (2010). Polyhedron, 29, 1431-1436.  [ISI] [CSD] [CrossRef] [ChemPort]
Oxford Diffraction (2010). CrysAlis PRO and CrysAlis RED. Oxford Diffraction Ltd, Yarnton, England.
Pickett, N. L. & O'Brien, P. (2001). Chem. Rec. 1, 467-479.  [CrossRef] [PubMed] [ChemPort]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Spek, A. L. (2009). Acta Cryst. D65, 148-155.  [ISI] [CrossRef] [details]
Valarmathi, P., Thirumaran, S., Ragi, P. & Ciattini, S. (2011). J. Coord. Chem. 64, 4157-4167.  [CrossRef] [ChemPort]
Yin, X., Zhang, W., Zhang, Q., Fan, J., Lai, C. S. & Tiekink, E. R. T. (2004). Appl. Organomet. Chem. 18, 139-140.  [ISI] [CSD] [CrossRef] [ChemPort]

Acta Cryst (2012). E68, m89  [ doi:10.1107/S1600536811054791 ]

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