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Volume 68 
Part 11 
Pages m1430-m1431  
November 2012  

Received 16 October 2012
Accepted 25 October 2012
Online 31 October 2012

Key indicators
Single-crystal X-ray study
T = 298 K
Mean [sigma](C-C) = 0.005 Å
R = 0.035
wR = 0.105
Data-to-parameter ratio = 17.9
Details
Open access

Di-[mu]2-acetato-1:2[kappa]2O:O';2:3[kappa]2O:O'-bis{[mu]2-4,4'-dichloro-2,2'-[2,2-dimethylpropane-1,3-diylbis(nitrilomethanylylidene)]diphenolato}-1:2[kappa]6O,N,N',O':O,O';2:3[kappa]6O,O':O,N,N',O'-tricopper(II)

aDivision of Natural Sciences, Osaka Kyoiku University, Kashiwara, Osaka 582-8582, Japan
Correspondence e-mail: kubono@cc.osaka-kyoiku.ac.jp

The title compound, [Cu3(C19H18Cl2N2O2)2(CH3CO2)2], is a linear homo-trinuclear CuII complex. The central CuII atom is located on a centre of inversion and has a distorted octahedral coordination environment formed by six O atoms from two tetradentate Schiff base ligands and two bridging acetate ligands. The coordination geometry of the terminal CuII atom is square-pyramidal with a tetradentate ligand in the basal plane. The apical site is occupied by one O atom from an acetate ligand. The acetate-bridged Cu...Cu distance is 3.0910 (5) Å. An intramolecular C-H...O hydrogen bond forms an S(6) ring motif. The crystal of the trinuclear complex is stabilized by C-H...O hydrogen bonds.

Related literature

For the supramolecular chemistry of related complexes, see: Chen et al. (2010[Chen, B., Xiang, S. & Qian, G. (2010). Acc. Chem. Res. 43, 1115-1124.]); von Richthofen et al. (2009[Richthofen, C.-G. F. von, Stammler, A., Bögge, H., DeGroot, M. W., Long, J. R. & Glaser, T. (2009). Inorg. Chem. 48, 10165-10176.]); Gianneschi et al. (2003[Gianneschi, N. C., Bertin, P. A., Nguyen, S. T., Mirkin, C. A., Zakharov, L. N. & Rheingold, L. (2003). J. Am. Chem. Soc. 125, 10508-10509.]). For related structures, see: Atakol et al. (1999[Atakol, O., Arici, C., Ercan, F. & Ülkü, D. (1999). Acta Cryst. C55, 511-513.]); Feng et al. (2007[Feng, Y.-F., Wu, H.-Y., Zhu, B.-L., Wang, S.-R. & Huang, W.-P. (2007). Acta Cryst. E63, m1107-m1108.]); Ray et al. (2009[Ray, A., Sadhukhan, D., Rosair, G. M., Gómez-García, C. J. & Mitra, S. (2009). Polyhedron, 28, 3542-3550.]); Yang et al. (2004[Yang, S.-P., Hong, Y., Chen, H.-M., Zhang, F., Chen, Q.-Q. & Yu, X.-B. (2004). Acta Cryst. E60, m582-m584.]). For background to this work, see: Fukuhara et al. (1990[Fukuhara, C., Tsuneyoshi, K., Matsumoto, N., Kida, S., Mikuriya, M. & Mori, M. (1990). J. Chem. Soc. Dalton Trans. pp. 3473-3479.]); Kargar et al. (2012[Kargar, H., Kia, R., Ganji, F. & Mirkhani, V. (2012). Acta Cryst. E68, m1135.]); Kubono et al. (2009[Kubono, K., Noshita, C., Tani, K. & Yokoi, K. (2009). Acta Cryst. E65, m1685-m1686.], 2010[Kubono, K., Tsuno, Y., Tani, K. & Yokoi, K. (2010). Acta Cryst. E66, m1397-m1398.]). For hydrogen-bond motifs, see: Bernstein et al. (1995[Bernstein, J., Davis, R. E., Shimoni, L. & Chang, N.-L. (1995). Angew. Chem. Int. Ed. 34, 1555-1573.]). For analysis of ring conformations, see: Cremer & Pople (1975[Cremer, D. & Pople, J. A. (1975). J. Am. Chem. Soc. 97, 1354-1358.]).

[Scheme 1]

Experimental

Crystal data
  • [Cu3(C19H18Cl2N2O2)2(C2H3O2)2]

  • Mr = 1063.25

  • Orthorhombic, P b c a

  • a = 19.0732 (18) Å

  • b = 11.6191 (11) Å

  • c = 19.693 (3) Å

  • V = 4364.2 (9) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 1.75 mm-1

  • T = 298 K

  • 0.23 × 0.20 × 0.16 mm

Data collection
  • Rigaku AFC7R diffractometer

  • Absorption correction: [psi] scan (North et al., 1968[North, A. C. T., Phillips, D. C. & Mathews, F. S. (1968). Acta Cryst. A24, 351-359.]) Tmin = 0.675, Tmax = 0.756

  • 7325 measured reflections

  • 5006 independent reflections

  • 2796 reflections with F2 > 2.0[sigma](F2)

  • Rint = 0.024

  • 3 standard reflections every 150 reflections intensity decay: 0.5%

Refinement
  • R[F2 > 2[sigma](F2)] = 0.035

  • wR(F2) = 0.105

  • S = 1.00

  • 5006 reflections

  • 280 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 0.39 e Å-3

  • [Delta][rho]min = -0.45 e Å-3

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
C2-H2...O4i 0.93 2.58 3.115 (4) 117
C15-H15...O3ii 0.93 2.59 3.289 (4) 133
Symmetry codes: (i) -x+1, -y, -z+1; (ii) [-x+{\script{3\over 2}}, y-{\script{1\over 2}}, z].

Data collection: PROCESS-AUTO (Rigaku, 2006[Rigaku (2006). PROCESS-AUTO. Rigaku Corporation, Tokyo, Japan.]); cell refinement: PROCESS-AUTO; data reduction: CrystalStructure (Rigaku, 2010[Rigaku (2010). CrystalStructure. Rigaku Corporation, Tokyo, Japan.]); program(s) used to solve structure: SIR92 (Altomare et al., 1993[Altomare, A., Cascarano, G., Giacovazzo, C. & Guagliardi, A. (1993). J. Appl. Cryst. 26, 343-350.]); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); molecular graphics: PLATON (Spek, 2009[Spek, A. L. (2009). Acta Cryst. D65, 148-155.]); software used to prepare material for publication: CrystalStructure.


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: MW2092 ).


Acknowledgements

This study was supported financially in part by Grants-in-Aid for Scientific Research (grant Nos. 20550075 and 23550094) from the Japan Society for the Promotion of Science.

References

Altomare, A., Cascarano, G., Giacovazzo, C. & Guagliardi, A. (1993). J. Appl. Cryst. 26, 343-350.  [CrossRef] [ISI] [details]
Atakol, O., Arici, C., Ercan, F. & Ülkü, D. (1999). Acta Cryst. C55, 511-513.  [CSD] [CrossRef] [details]
Bernstein, J., Davis, R. E., Shimoni, L. & Chang, N.-L. (1995). Angew. Chem. Int. Ed. 34, 1555-1573.  [CrossRef] [ChemPort] [ISI]
Chen, B., Xiang, S. & Qian, G. (2010). Acc. Chem. Res. 43, 1115-1124.  [ISI] [CrossRef] [ChemPort] [PubMed]
Cremer, D. & Pople, J. A. (1975). J. Am. Chem. Soc. 97, 1354-1358.  [CrossRef] [ChemPort] [ISI]
Feng, Y.-F., Wu, H.-Y., Zhu, B.-L., Wang, S.-R. & Huang, W.-P. (2007). Acta Cryst. E63, m1107-m1108.  [CSD] [CrossRef] [details]
Fukuhara, C., Tsuneyoshi, K., Matsumoto, N., Kida, S., Mikuriya, M. & Mori, M. (1990). J. Chem. Soc. Dalton Trans. pp. 3473-3479.  [CrossRef]
Gianneschi, N. C., Bertin, P. A., Nguyen, S. T., Mirkin, C. A., Zakharov, L. N. & Rheingold, L. (2003). J. Am. Chem. Soc. 125, 10508-10509.  [CrossRef] [PubMed] [ChemPort]
Kargar, H., Kia, R., Ganji, F. & Mirkhani, V. (2012). Acta Cryst. E68, m1135.  [CrossRef] [details]
Kubono, K., Noshita, C., Tani, K. & Yokoi, K. (2009). Acta Cryst. E65, m1685-m1686.  [CSD] [CrossRef] [details]
Kubono, K., Tsuno, Y., Tani, K. & Yokoi, K. (2010). Acta Cryst. E66, m1397-m1398.  [CrossRef] [details]
North, A. C. T., Phillips, D. C. & Mathews, F. S. (1968). Acta Cryst. A24, 351-359.  [CrossRef] [details]
Ray, A., Sadhukhan, D., Rosair, G. M., Gómez-García, C. J. & Mitra, S. (2009). Polyhedron, 28, 3542-3550.  [CrossRef] [ChemPort]
Richthofen, C.-G. F. von, Stammler, A., Bögge, H., DeGroot, M. W., Long, J. R. & Glaser, T. (2009). Inorg. Chem. 48, 10165-10176.  [PubMed]
Rigaku (2006). PROCESS-AUTO. Rigaku Corporation, Tokyo, Japan.
Rigaku (2010). CrystalStructure. Rigaku Corporation, Tokyo, Japan.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Spek, A. L. (2009). Acta Cryst. D65, 148-155.  [ISI] [CrossRef] [details]
Yang, S.-P., Hong, Y., Chen, H.-M., Zhang, F., Chen, Q.-Q. & Yu, X.-B. (2004). Acta Cryst. E60, m582-m584.  [CrossRef] [details]


Acta Cryst (2012). E68, m1430-m1431   [ doi:10.1107/S1600536812044315 ]

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