catena-Poly[[tribenzyl­tin(IV)]-μ-(E)-3-phenyl­prop-2-enoato-κ2O:O′]

Lo, K.M.; Ng, S.W.

doi:10.1107/S1600536811017247

Volume 67
Part 6
Pages m744-m745
June 2011

Received 5 May 2011
Accepted 7 May 2011
Online 14 May 2011

Key indicators
Single-crystal X-ray study
T = 100 K
Mean (C-C) = 0.008 Å
R = 0.042
wR = 0.087
Data-to-parameter ratio = 18.9
Details

catena-Poly[[tribenzyltin(IV)]--(E)-3-phenylprop-2-enoato-²O:O']

Kong Mun Lo ^a and Seik Weng Ng ^a ^*

^aDepartment of Chemistry, University of Malaya, 50603 Kuala Lumpur, Malaysia
Correspondence e-mail: seikweng@um.edu.my

The Sn^IV atom in the title carboxylate-bridged polymer, [Sn(C₇H₇)₃(C₉H₇O₂)]_n, exists in a trans-C₃SnO₂ trigonal-bipyramidal geometry (average covalent Sn-O = 2.167 Å, average dative Sn-O = 2.361 Å and average O-Sn-O = 169.6°). The polymer propagates as a helical chain along the b axis with a repeat distance that is half the b-axial length. There are four independent formula units in the asymmetric unit; two are disposed about a false center of inversion with respect to the other two so that the space group emulates a centric space group.

Related literature

Trialkyltin(IV) carboxylates generally contain five-coordinate Sn atoms and are carboxylate-bridged polymers; see: Ng et al. (1988). For the structure of tribenzyltin acetate, see: Ferguson et al. (1995). For the structure of tribenzyltin p-nitrocinnamate, see: Thong et al. (2008). For the use of the Hooft and Flack parameters in confirming the P2₁ space-group description, see: Hooft et al. (2008); Spek (2009). The polar P2₁ space group is sometimes assigned incorrectly, see: Clemente & Marzotto (2003, 2004).

Experimental

Crystal data

[Sn(C₇H₇)₃(C₉H₇O₂)]
M_r = 539.21
Monoclinic, P 2₁
a = 19.5847 (3) Å
b = 10.2404 (2) Å
c = 26.6224 (4) Å
= 110.2838 (8)°
V = 5008.15 (15) Å³
Z = 8
Mo K radiation
= 1.04 mm^-1
T = 100 K
0.20 × 0.10 × 0.10 mm

Data collection

Bruker SMART APEX diffractometer
Absorption correction: multi-scan (SADABS; Sheldrick, 1996) T_min = 0.818, T_max = 0.903
47886 measured reflections
22492 independent reflections
19107 reflections with I > 2(I)
R_int = 0.049

Refinement

R[F² > 2(F²)] = 0.042
wR(F²) = 0.087
S = 0.97
22492 reflections
1189 parameters
1 restraint
H-atom parameters constrained
_max = 0.83 e Å^-3
_min = -0.79 e Å^-3
Absolute structure: Flack (1983), 10328 Friedel pairs
Flack parameter: 0.00 (2)

Table 1
Selected geometric parameters (Å, °)

Sn1-O1	2.165 (3)
Sn1-O2ⁱ	2.352 (4)
Sn2-O3	2.177 (3)
Sn2-O4ⁱⁱ	2.338 (3)
Sn3-O5	2.153 (3)
Sn3-O6ⁱⁱⁱ	2.403 (4)
Sn4-O7	2.174 (3)
Sn4-O8^iv	2.352 (4)

O1-Sn1-O2ⁱ	171.2 (1)
O3-Sn2-O4ⁱⁱ	169.6 (1)
O5-Sn3-O6ⁱⁱⁱ	168.4 (1)
O7-Sn4-O8^iv	169.4 (1)
Symmetry codes: (i) $[-x+1, y-{\script{1\over 2}}, -z]$ ; (ii) $[-x+1, y-{\script{1\over 2}}, -z+1]$ ; (iii) $[-x, y+{\script{1\over 2}}, -z+1]$ ; (iv) $[-x, y+{\script{1\over 2}}, -z+2]$ .

Data collection: APEX2 (Bruker, 2009); cell refinement: SAINT (Bruker, 2009); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: X-SEED (Barbour, 2001); software used to prepare material for publication: publCIF (Westrip, 2010).

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: SI2355 ).

Acknowledgements

We thank the University of Malaya (grant No. RG020/09AFR) for supporting this study.

References

Barbour, L. J. (2001). J. Supramol. Chem. 1, 189-191.
Bruker (2009). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.
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Clemente, D. A. & Marzotto, A. (2004). Acta Cryst. B60, 287-292.
Ferguson, G., Spalding, T. R., O'Dowd, A. T. & O'Shea, K. C. (1995). Acta Cryst. C51, 2546-2548.
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