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Volume 69 
Part 3 
Page m167  
March 2013  

Received 30 November 2012
Accepted 18 February 2013
Online 23 February 2013

Key indicators
Single-crystal X-ray study
T = 293 K
Mean [sigma](C-C) = 0.003 Å
Disorder in solvent or counterion
R = 0.020
wR = 0.052
Data-to-parameter ratio = 13.8
Details
Open access

Bis[(E)-3-(4-methoxyphenyl)prop-2-enoato]triphenylantimony(V) benzene monosolvate

aDepartment of Physics, N. I. Lobachevsky State University of Nizhni Novgorod, 603950, pr. Gagarina 23-3, Nizhni Novgorod, Russian Federation, and bDepartment of Chemistry, N. I. Lobachevsky State University of Nizhni Novgorod, 603950, pr. Gagarina 23-2, Nizhni Novgorod, Russian Federation
Correspondence e-mail: andreev@phys.unn.ru

The asymmetric unit of the title compound, [Sb(C6H5)3(C10H9O3)2]·C6H6, contains one organometallic molecule and one benzene molecule that is disordered over two sets of sites with an occupancy ratio of 0.556 (15):0.444 (15). The SbV atom is in a distorted trigonal-bipyramidal environment with the carboxylate O atoms in axial positions and phenyl C atoms in the equatorial plane. As a result of additional Sb...O interactions, one of the C-Sb-C angles is widened to 140.19 (6)°.

Related literature

For the chemistry of triphenyantimony diacylates, see: Gushchin et al. (2011[Gushchin, A. V., Shashkin, D. V., Prytkova, L. K., Somov, N. V., Baranov, E. V., Shavyrin, A. S. & Rykalin, V. I. (2011). Russ. J. Gen. Chem. 81, 493-496.]). For thermodynamic properties of triphenylantimony diacylates, see: Letyanina et al. (2012[Letyanina, I. A., Markin, A. V., Smirnova, N. N., Gushchin, A. V. & Shashkin, D. V. (2012). Russ. J. Phys. Chem. A86, 1189-1195.]); Markin et al. (2011[Markin, A. V., Letyanina, I. A., Ruchenin, V. A., Smirnova, N. N., Gushchin, A. V. & Shashkin, D. V. (2011). J. Chem. Eng. Data, 56, 3657-3662.]) and for their applications, see: Dodonov et al. (2004[Dodonov, V. A., Gushchin, A. V., Kuznetsova, Yu. L. & Morgunova, V. A. (2004). Vestn. Nizhni Novg. Univ. 82, 86-94.]). For a closely related structure, see: Belsky (1996[Belsky, V. K. (1996). Private communication (refcode NAGXOI). CCDC, Cambridge, England.]).

[Scheme 1]

Experimental

Crystal data
  • [Sb(C6H5)3(C10H9O3)2]·C6H6

  • Mr = 785.5

  • Triclinic, [P \overline 1]

  • a = 11.2047 (1) Å

  • b = 11.2337 (1) Å

  • c = 15.0317 (2) Å

  • [alpha] = 91.125 (1)°

  • [beta] = 94.936 (1)°

  • [gamma] = 95.496 (1)°

  • V = 1875.62 (3) Å3

  • Z = 2

  • Mo K[alpha] radiation

  • [mu] = 0.78 mm-1

  • T = 293 K

  • 0.22 × 0.16 × 0.07 mm

Data collection
  • Agilent Xcalibur Sapphire3 CCD diffractometer

  • Absorption correction: multi-scan (CrysAlis RED; Agilent, 2011[Agilent (2011). CrysAlis CCD and CrysAlis RED. Agilent Technologies, Yarnton, England.]) Tmin = 0.841, Tmax = 1.000

  • 28524 measured reflections

  • 7595 independent reflections

  • 7254 reflections with I > 2[sigma](I)

  • Rint = 0.022

Refinement
  • R[F2 > 2[sigma](F2)] = 0.020

  • wR(F2) = 0.052

  • S = 1.09

  • 7595 reflections

  • 551 parameters

  • 78 restraints

  • H-atom parameters constrained

  • [Delta][rho]max = 0.34 e Å-3

  • [Delta][rho]min = -0.25 e Å-3

Data collection: CrysAlis CCD (Agilent, 2011[Agilent (2011). CrysAlis CCD and CrysAlis RED. Agilent Technologies, Yarnton, England.]); cell refinement: CrysAlis CCD; data reduction: CrysAlis RED (Agilent, 2011[Agilent (2011). CrysAlis CCD and CrysAlis RED. Agilent Technologies, 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: Mercury (Macrae et al., 2006[Macrae, C. F., Edgington, P. R., McCabe, P., Pidcock, E., Shields, G. P., Taylor, R., Towler, M. & van de Streek, J. (2006). J. Appl. Cryst. 39, 453-457.]); software used to prepare material for publication: publCIF (Westrip, 2010[Westrip, S. P. (2010). J. Appl. Cryst. 43, 920-925.]).


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: YK2083 ).


Acknowledgements

This work was supported financially by the Ministry of Education and Science of the Russian Federation, project 14.B37.21.1158.

References

Agilent (2011). CrysAlis CCD and CrysAlis RED. Agilent Technologies, Yarnton, England.
Belsky, V. K. (1996). Private communication (refcode NAGXOI). CCDC, Cambridge, England.
Dodonov, V. A., Gushchin, A. V., Kuznetsova, Yu. L. & Morgunova, V. A. (2004). Vestn. Nizhni Novg. Univ. 82, 86-94.
Gushchin, A. V., Shashkin, D. V., Prytkova, L. K., Somov, N. V., Baranov, E. V., Shavyrin, A. S. & Rykalin, V. I. (2011). Russ. J. Gen. Chem. 81, 493-496.  [ISI] [CrossRef] [ChemPort]
Letyanina, I. A., Markin, A. V., Smirnova, N. N., Gushchin, A. V. & Shashkin, D. V. (2012). Russ. J. Phys. Chem. A86, 1189-1195.  [ISI] [CrossRef]
Macrae, C. F., Edgington, P. R., McCabe, P., Pidcock, E., Shields, G. P., Taylor, R., Towler, M. & van de Streek, J. (2006). J. Appl. Cryst. 39, 453-457.  [ISI] [CrossRef] [ChemPort] [details]
Markin, A. V., Letyanina, I. A., Ruchenin, V. A., Smirnova, N. N., Gushchin, A. V. & Shashkin, D. V. (2011). J. Chem. Eng. Data, 56, 3657-3662.  [CrossRef] [ChemPort]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Westrip, S. P. (2010). J. Appl. Cryst. 43, 920-925.  [ISI] [CrossRef] [ChemPort] [details]


Acta Cryst (2013). E69, m167  [ doi:10.1107/S1600536813004674 ]

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