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Volume 68 
Part 1 
Pages m12-m13  
January 2012  

Received 2 November 2011
Accepted 29 November 2011
Online 3 December 2011

Key indicators
Single-crystal X-ray study
T = 298 K
Mean [sigma](C-C) = 0.005 Å
Disorder in main residue
R = 0.029
wR = 0.067
Data-to-parameter ratio = 16.0
Details
Open access

Bis([mu]-N-benzyl-N-furfuryldithiocarbamato)-1:2[kappa]3S,S':S';2:1[kappa]3S,S':S'-bis[(N-benzyl-N-furfuryldithiocarbamato-[kappa]2S,S')cadmium]

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

In the centrosymmetric title compound, [Cd2(C13H12NOS2)4], pairs of dithiocarbamate ligands exhibit different structural functions. Each of the terminal ligands is bidentately coordinated to one CdII atom and forms a planar four-membered CS2Cd chelate ring, whereas pairs of the tridentate bridging ligands link two neighbouring CdII atoms, forming extended eight-membered C2S4Cd2 tricyclic units whose geometry can be approximated by a chair conformation. The coordination polyhedron of the CdII atoms is a distorted square-pyramid. The five-membered furan ring and the benzene ring are disordered over two sets of sites with an occupancy ratio of 0.62 (8):0.38 (8).

Related literature

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.]). For the solid state structural chemistry of group XII 1,1-dithiolates, see: Tiekink (2003[Tiekink, E. R. T. (2003). CrystEngComm, 5, 101-113.]). Metal dithiocarbamate complexes can act as single source precursors in the synthesis of novel metal sulfide nanomaterials, see: Ajibade et al. (2011[Ajibade, P. A., Onwudiwe, D. C. & Moloto, M. J. (2011). Polyhedron, 30, 246-218.]); Bera et al. (2010[Bera, P., Kim, C. H. & Seok, S. I. (2010). Solid State Sci. 12, 532-535.]); Thomas et al. (2011[Thomas, P. J., Fan, D. & O'Brien, P. (2011). J. Colloid. Interface Sci. 354, 210-218.]). For the effect of organic substituents on the deposition temperature and deposition mechanisms, see: Pickett & O'Brien (2001[Pickett, N. L. & O'Brien, P. (2001). Chem. Rec. 1, 467-479.]).

[Scheme 1]

Experimental

Crystal data
  • [Cd2(C13H12NOS2)4]

  • Mr = 1274.22

  • Monoclinic, P 21 /n

  • a = 10.7922 (3) Å

  • b = 14.7253 (6) Å

  • c = 16.9352 (6) Å

  • [beta] = 97.383 (3)°

  • V = 2669.00 (16) Å3

  • Z = 2

  • Mo K[alpha] radiation

  • [mu] = 1.16 mm-1

  • T = 298 K

  • 0.3 × 0.2 × 0.2 mm

Data collection
  • Oxford Diffraction Xcalibur Sapphire3 diffractometer

  • Absorption correction: multi-scan (CrysAlis RED; Oxford Diffraction, 2007[Oxford Diffraction (2007). CrysAlis PRO and CrysAlis RED. Oxford Diffraction Ltd, Abingdon, England.]) Tmin = 0.976, Tmax = 1.000

  • 25547 measured reflections

  • 5392 independent reflections

  • 4546 reflections with I > 2[sigma](I)

  • Rint = 0.022

Refinement
  • R[F2 > 2[sigma](F2)] = 0.029

  • wR(F2) = 0.067

  • S = 1.04

  • 5392 reflections

  • 337 parameters

  • 50 restraints

  • H-atom parameters constrained

  • [Delta][rho]max = 0.46 e Å-3

  • [Delta][rho]min = -0.28 e Å-3

Data collection: CrysAlis PRO (Oxford Diffraction, 2007[Oxford Diffraction (2007). CrysAlis PRO and CrysAlis RED. Oxford Diffraction Ltd, Abingdon, England.]); cell refinement: CrysAlis PRO; data reduction: CrysAlis PRO; 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: NC2254 ).


Acknowledgements

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

References

Ajibade, P. A., Onwudiwe, D. C. & Moloto, M. J. (2011). Polyhedron, 30, 246-218.  [ISI] [CrossRef] [ChemPort]
Bera, P., Kim, C. H. & Seok, S. I. (2010). Solid State Sci. 12, 532-535.  [ISI] [CrossRef] [ChemPort]
Farrugia, L. J. (1997). J. Appl. Cryst. 30, 565.  [CrossRef] [details]
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 (2007). CrysAlis PRO and CrysAlis RED. Oxford Diffraction Ltd, Abingdon, 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]
Thomas, P. J., Fan, D. & O'Brien, P. (2011). J. Colloid. Interface Sci. 354, 210-218.  [CrossRef] [ChemPort] [PubMed]
Tiekink, E. R. T. (2003). CrystEngComm, 5, 101-113.  [ISI] [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, m12-m13   [ doi:10.1107/S1600536811051348 ]

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