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Volume 69 
Part 11 
Page o1666  
November 2013  

Received 7 October 2013
Accepted 14 October 2013
Online 19 October 2013

Key indicators
Single-crystal X-ray study
T = 150 K
Mean [sigma](C-C) = 0.007 Å
Disorder in solvent or counterion
R = 0.037
wR = 0.106
Data-to-parameter ratio = 17.1
Details
Open access

Tri­phenyl­telluronium(IV) bromide acetone hemisolvate

aDepartment of Chemistry, PO Box 3000, FI-90014 University of Oulu, Finland
Correspondence e-mail: raija.oilunkaniemi@oulu.fi

The asymmetric unit of the title compound, 2C18H15Te+·2Br-·C3H6O or Ph3TeBr·0.5Me2CO, contains two crystallographically independent tri­phenyl­telluronium cations, two bromide anions, and one disordered [site-occupancy ratio = 0.581 (7):0.419 (7)] solvent mol­ecule. Inter­ionic Te...Br inter­actions connect the cations and anions into a tetra­meric step-like structure. The primary coordination spheres of both Te atoms are TeC3 trigonal pyramids: three short secondary tellurium-bromine inter­actions expand the coordination geometry of one of the Te atoms to an octa­hedron. While the other Te atom shows only two Te...Br secondary bonding inter­actions, it is also six-coordinated due to a Te...[pi] inter­action [3.769 (2) Å] with one of the phenyl rings of the adjacent cation.

Related literature

For the structures of unsolvated tri­phenyl­telluronium chloride and Ph3TeCl. 0.5CHCl3, see: Ziolo & Extine (1980[Ziolo, R. F. & Extine, M. (1980). Inorg. Chem. 19, 2964-2967.]) and Collins et al. (1988[Collins, M. J., Ripmeester, J. A. & Sawyer, J. F. (1988). J. Am. Chem. Soc. 110, 8583-8590.]), respectively. For the preparation of [(Ph3PO)2H]2[Te2Br10], see: Närhi et al. (2004[Närhi, S. M., Oilunkaniemi, R., Laitinen, R. S. & Ahlgren, M. (2004). Inorg. Chem. 43, 3742-3750.]). For Te...[pi] inter­actions, see: Zukerman-Schpector & Haiduc (2002[Zukerman-Schpector, J. & Haiduc, I. (2002). CrystEngComm, 4, 178-193.]). For Te-C bond lengths in tri­phenyl­telluronium cations, see: Oilunkaniemi et al. (2001[Oilunkaniemi, R., Pietikäinen, J., Laitinen, R. S. & Ahlgren, M. (2001). J. Organomet. Chem. 640, 50-56.]).

[Scheme 1]

Experimental

Crystal data
  • 2C18H15Te+·2Br-·C3H6O

  • Mr = 935.70

  • Triclinic, [P \overline 1]

  • a = 11.753 (2) Å

  • b = 13.086 (3) Å

  • c = 13.165 (3) Å

  • [alpha] = 77.69 (3)°

  • [beta] = 66.05 (3)°

  • [gamma] = 81.73 (3)°

  • V = 1804.16 (2) Å3

  • Z = 2

  • Mo K[alpha] radiation

  • [mu] = 3.86 mm-1

  • T = 150 K

  • 0.30 × 0.28 × 0.25 mm

Data collection
  • Bruker-Nonius KappaCCD diffractometer

  • Absorption correction: multi-scan (XPREP in SHELXTL; Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]) Tmin = 0.327, Tmax = 0.381

  • 28482 measured reflections

  • 7083 independent reflections

  • 6013 reflections with I > 2[sigma](I)

  • Rint = 0.065

Refinement
  • R[F2 > 2[sigma](F2)] = 0.037

  • wR(F2) = 0.106

  • S = 1.01

  • 7083 reflections

  • 415 parameters

  • 9 restraints

  • H-atom parameters constrained

  • [Delta][rho]max = 1.18 e Å-3

  • [Delta][rho]min = -1.86 e Å-3

Table 1
Selected bond lengths (Å)

Te1-C121 2.135 (4)
Te1-C111 2.150 (4)
Te1-C131 2.156 (4)
Te1-Br1 3.4481 (9)
Te1-Br1i 3.3941 (9)
Te1-Br2 3.4174 (10)
Te2-C211 2.120 (4)
Te2-C231 2.134 (4)
Te2-C221 2.148 (4)
Te2-Br1i 3.3922 (9)
Te2-Br2 3.3527 (9)
Symmetry code: (i) -x, -y, -z+1.

Data collection: COLLECT (Bruker, 2008[Bruker (2008). COLLECT. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: DENZO-SMN (Otwinowski & Minor, 1997[Otwinowski, Z. & Minor, W. (1997). Methods in Enzymology, Vol. 276, Macromolecular Crystallography, Part A, edited by C. W. Carter Jr & R. M. Sweet, pp. 307-326. New York: Academic Press.]); data reduction: DENZO-SMN; 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: DIAMOND (Brandenburg, 2006[Brandenburg, K. (2006). DIAMOND. Crystal Impact GmbH, Bonn, Germany.]); software used to prepare material for publication: WinGX (Farrugia, 2012[Farrugia, L. J. (2012). J. Appl. Cryst. 45, 849-854.]).


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: HB7149 ).


Acknowledgements

Financial support from the Academy of Finland is gratefully acknowledged.

References

Brandenburg, K. (2006). DIAMOND. Crystal Impact GmbH, Bonn, Germany.
Bruker (2008). COLLECT. Bruker AXS Inc., Madison, Wisconsin, USA.
Collins, M. J., Ripmeester, J. A. & Sawyer, J. F. (1988). J. Am. Chem. Soc. 110, 8583-8590.  [CSD] [CrossRef] [ChemPort] [Web of Science]
Farrugia, L. J. (2012). J. Appl. Cryst. 45, 849-854.  [Web of Science] [CrossRef] [ChemPort] [IUCr Journals]
Närhi, S. M., Oilunkaniemi, R., Laitinen, R. S. & Ahlgren, M. (2004). Inorg. Chem. 43, 3742-3750.  [Web of Science] [CSD] [CrossRef] [PubMed]
Oilunkaniemi, R., Pietikäinen, J., Laitinen, R. S. & Ahlgren, M. (2001). J. Organomet. Chem. 640, 50-56.  [CSD] [CrossRef] [ChemPort]
Otwinowski, Z. & Minor, W. (1997). Methods in Enzymology, Vol. 276, Macromolecular Crystallography, Part A, edited by C. W. Carter Jr & R. M. Sweet, pp. 307-326. New York: Academic Press.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [ChemPort] [IUCr Journals]
Ziolo, R. F. & Extine, M. (1980). Inorg. Chem. 19, 2964-2967.  [CSD] [CrossRef] [ChemPort] [Web of Science]
Zukerman-Schpector, J. & Haiduc, I. (2002). CrystEngComm, 4, 178-193.  [ChemPort]


Acta Cryst (2013). E69, o1666  [ doi:10.1107/S160053681302816X ]

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