Bis(μ-trimethyl­silanolato-κ2O:O)bis­{[2-(2H-benzotriazol-2-yl)-4,6-di-tert-pentyl­phenolato-κ2N,O]zinc}

Lee, H.H.; Go, M.J.; Park, K.H.; Kim, Y.; Lee, J.

doi:10.1107/S1600536811054134

Volume 68
Part 1
Page m87
January 2012

Received 8 December 2011
Accepted 15 December 2011
Online 23 December 2011

Key indicators
Single-crystal X-ray study
T = 296 K
Mean (C-C) = 0.003 Å
Disorder in main residue
R = 0.039
wR = 0.108
Data-to-parameter ratio = 20.7
Details

Bis(-trimethylsilanolato-²O:O)bis{[2-(2H-benzotriazol-2-yl)-4,6-di-tert-pentylphenolato-²N,O]zinc}

Hwi Hyun Lee,^a Min Jeong Go,^a Ka Hyun Park,^a Youngjo Kim ^b and Junseong Lee ^a ^*

^aDepartment of Chemistry, Chonnam National University, Gwangju 500-757, Republic of Korea, and ^bDepartment of Chemistry, Chungbuk National University, Cheongju, Chungbuk 361-763, Republic of Korea
Correspondence e-mail: leespy@jnu.ac.kr

The binuclear title complex, [Zn₂(C₂₂H₂₈N₃O)₂(C₃H₉OSi)₂], has a crystallographic imposed centre of symmetry. The Zn^II atom is coordinated by three O and one N atom from one 2-(2H-benzotriazol-2-yl)-4,6-di-tert-pentylphenolate ligand and two bridging trimethylsilanolate anions in a distorted tetrahedral geometry. The dihedral angle between the benzotriazole ring system and the benzene ring is 19.83 (5)°. The tert-pentyl groups are disordered over two orientations with refined site-occupancy ratios of 0.858 (4):0.142 (4) and 0.665 (6):0.335 (6).

Related literature

For the use of metal complexes for ring-opening polymerization of cyclic esters, see: Cheng et al. (1999); Chamberlain et al. (2001); Chisholm et al. (2001); Drouin et al. (2010). For metal complexes with bidentate benzotriazol-phenolate ligands, see: Lee et al. (2010, 2011); Li et al. (2011); Tai et al. (2011).

Experimental

Crystal data

[Zn₂(C₂₂H₂₈N₃O)₂(C₃H₉OSi)₂]
M_r = 1010.11
Monoclinic, P 2₁ /c
a = 10.7640 (4) Å
b = 10.7280 (4) Å
c = 23.2314 (9) Å
= 90.597 (2)°
V = 2682.53 (18) Å³
Z = 2
Mo K radiation
= 0.99 mm^-1
T = 296 K
0.12 × 0.10 × 0.08 mm

Data collection

Bruker SMART 1K CCD diffractometer
Absorption correction: multi-scan (SADABS; Bruker, 2004) T_min = 0.92, T_max = 0.95
39361 measured reflections
8000 independent reflections
5487 reflections with I > 2(I)
R_int = 0.053

Refinement

R[F² > 2(F²)] = 0.039
wR(F²) = 0.108
S = 1.01
8000 reflections
387 parameters
18 restraints
H-atom parameters constrained
_max = 0.51 e Å^-3
_min = -0.40 e Å^-3

Data collection: SMART (Bruker, 2004); cell refinement: SAINT (Bruker, 2004); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: ORTEP-3 for Windows (Farrugia, 1997); software used to prepare material for publication: SHELXTL (Sheldrick, 2008).

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: RZ2685 ).

Acknowledgements

This work was supported by the National Research Foundation of Korea grant funded by the Korean Government [NRF-2009-352-C00068].

References

Bruker (2004). SMART, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.
Chamberlain, B. M., Cheng, M., Moore, D. R., Ovitt, T. M., Lobkovsky, E. B. & Coates, G. W. (2001). J. Am. Chem. Soc. 123, 3229-3238.
Cheng, M., Attygalle, A. B., Lobkovsky, E. B. & Coates, G. W. (1999). J. Am. Chem. Soc. 121, 11583-11584.
Chisholm, M. H., Huffman, J. C. & Phomphrai, K. J. (2001). J. Chem. Soc. Dalton Trans. pp. 222-224.
Drouin, F., Oguadinma, P. O., Whitehorne, T. T. J., Prud'homme, R. E. & Schaper, F. (2010). Organometallics, 29, 2139-2147.
Farrugia, L. J. (1997). J. Appl. Cryst. 30, 565.
Lee, J., Kim, S. H., Lee, K. M., Hwang, K. Y., Kim, H., Huh, J. O., Kim, D. J., Lee, Y. S., Do, Y. & Kim, Y. (2010). Organometallics, 29, 347-353.
Lee, K. M., Yoon, S., Lee, J., Kim, J., Do, Y., You, T.-S. & Kim, Y. (2011). Polyhedron, 30, 809-813.
Li, J.-Y., Li, C.-Y., Tai, W.-J., Lin, C.-H. & Ko, B.-T. (2011). Inorg. Chem. Commun. 14, 1140-1144.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
Tai, Y.-E., Le, C.-Y., Lin, C.-H., Liu, Y.-C., Ko, B.-T. & Sun, Y.-S. (2011). J. Polym. Sci. Part A Polym. Chem. 49, 4027-4036.