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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 [sigma](C-C) = 0.003 Å
Disorder in main residue
R = 0.039
wR = 0.108
Data-to-parameter ratio = 20.7
Details
Open access

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

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 ZnII 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[Cheng, M., Attygalle, A. B., Lobkovsky, E. B. & Coates, G. W. (1999). J. Am. Chem. Soc. 121, 11583-11584.]); Chamberlain et al. (2001[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.]); Chisholm et al. (2001[Chisholm, M. H., Huffman, J. C. & Phomphrai, K. J. (2001). J. Chem. Soc. Dalton Trans. pp. 222-224.]); Drouin et al. (2010[Drouin, F., Oguadinma, P. O., Whitehorne, T. T. J., Prud'homme, R. E. & Schaper, F. (2010). Organometallics, 29, 2139-2147.]). For metal complexes with bidentate benzotriazol-phenolate ligands, see: Lee et al. (2010[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.], 2011[Lee, K. M., Yoon, S., Lee, J., Kim, J., Do, Y., You, T.-S. & Kim, Y. (2011). Polyhedron, 30, 809-813.]); Li et al. (2011[Li, J.-Y., Li, C.-Y., Tai, W.-J., Lin, C.-H. & Ko, B.-T. (2011). Inorg. Chem. Commun. 14, 1140-1144.]); Tai et al. (2011[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.]).

[Scheme 1]

Experimental

Crystal data
  • [Zn2(C22H28N3O)2(C3H9OSi)2]

  • Mr = 1010.11

  • Monoclinic, P 21 /c

  • a = 10.7640 (4) Å

  • b = 10.7280 (4) Å

  • c = 23.2314 (9) Å

  • [beta] = 90.597 (2)°

  • V = 2682.53 (18) Å3

  • Z = 2

  • Mo K[alpha] radiation

  • [mu] = 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[Bruker (2004). SMART, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]) Tmin = 0.92, Tmax = 0.95

  • 39361 measured reflections

  • 8000 independent reflections

  • 5487 reflections with I > 2[sigma](I)

  • Rint = 0.053

Refinement
  • R[F2 > 2[sigma](F2)] = 0.039

  • wR(F2) = 0.108

  • S = 1.01

  • 8000 reflections

  • 387 parameters

  • 18 restraints

  • H-atom parameters constrained

  • [Delta][rho]max = 0.51 e Å-3

  • [Delta][rho]min = -0.40 e Å-3

Data collection: SMART (Bruker, 2004[Bruker (2004). SMART, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 2004[Bruker (2004). SMART, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]); data reduction: SAINT; 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 for Windows (Farrugia, 1997[Farrugia, L. J. (1997). J. Appl. Cryst. 30, 565.]); software used to prepare material for publication: SHELXTL (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]).


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.  [ISI] [CSD] [CrossRef] [PubMed] [ChemPort]
Cheng, M., Attygalle, A. B., Lobkovsky, E. B. & Coates, G. W. (1999). J. Am. Chem. Soc. 121, 11583-11584.  [CrossRef] [ChemPort]
Chisholm, M. H., Huffman, J. C. & Phomphrai, K. J. (2001). J. Chem. Soc. Dalton Trans. pp. 222-224.  [CrossRef]
Drouin, F., Oguadinma, P. O., Whitehorne, T. T. J., Prud'homme, R. E. & Schaper, F. (2010). Organometallics, 29, 2139-2147.  [CrossRef] [ChemPort]
Farrugia, L. J. (1997). J. Appl. Cryst. 30, 565.  [CrossRef] [details]
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.  [CrossRef] [ChemPort]
Lee, K. M., Yoon, S., Lee, J., Kim, J., Do, Y., You, T.-S. & Kim, Y. (2011). Polyhedron, 30, 809-813.  [ChemPort]
Li, J.-Y., Li, C.-Y., Tai, W.-J., Lin, C.-H. & Ko, B.-T. (2011). Inorg. Chem. Commun. 14, 1140-1144.  [CrossRef] [ChemPort]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
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.  [CrossRef] [ChemPort]


Acta Cryst (2012). E68, m87  [ doi:10.1107/S1600536811054134 ]

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