Di-μ2-acetato-1:2κ2O:O′;2:3κ2O:O′-bis­{μ2-4,4′-dichloro-2,2′-[2,2-dimethyl­propane-1,3-diylbis(nitrilo­methanylyl­idene)]diphenolato}-1:2κ6O,N,N′,O′:O,O′;2:3κ6O,O′:O,N,N′,O′-tricopper(II)

Kubono, K.; Tani, K.; Yokoi, K.

doi:10.1107/S1600536812044315

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 (C-C) = 0.005 Å
R = 0.035
wR = 0.105
Data-to-parameter ratio = 17.9
Details

Di-₂-acetato-1:2²O:O';2:3²O:O'-bis{₂-4,4'-dichloro-2,2'-[2,2-dimethylpropane-1,3-diylbis(nitrilomethanylylidene)]diphenolato}-1:2⁶O,N,N',O':O,O';2:3⁶O,O':O,N,N',O'-tricopper(II)

Koji Kubono,^a ^* Keita Tani ^a and Kunihiko Yokoi ^a

^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 Cu^II complex. The central Cu^II 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 Cu^II 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 CuCu distance is 3.0910 (5) Å. An intramolecular C-HO hydrogen bond forms an S(6) ring motif. The crystal of the trinuclear complex is stabilized by C-HO hydrogen bonds.

Related literature

For the supramolecular chemistry of related complexes, see: Chen et al. (2010); von Richthofen et al. (2009); Gianneschi et al. (2003). For related structures, see: Atakol et al. (1999); Feng et al. (2007); Ray et al. (2009); Yang et al. (2004). For background to this work, see: Fukuhara et al. (1990); Kargar et al. (2012); Kubono et al. (2009, 2010). For hydrogen-bond motifs, see: Bernstein et al. (1995). For analysis of ring conformations, see: Cremer & Pople (1975).

Experimental

Crystal data

[Cu₃(C₁₉H₁₈Cl₂N₂O₂)₂(C₂H₃O₂)₂]
M_r = 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 radiation
= 1.75 mm^-1
T = 298 K
0.23 × 0.20 × 0.16 mm

Data collection

Rigaku AFC7R diffractometer
Absorption correction: scan (North et al., 1968) T_min = 0.675, T_max = 0.756
7325 measured reflections
5006 independent reflections
2796 reflections with F² > 2.0(F²)
R_int = 0.024
3 standard reflections every 150 reflections intensity decay: 0.5%

Refinement

R[F² > 2(F²)] = 0.035
wR(F²) = 0.105
S = 1.00
5006 reflections
280 parameters
H-atom parameters constrained
_max = 0.39 e Å^-3
_min = -0.45 e Å^-3

Table 1
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
C2-H2O4ⁱ	0.93	2.58	3.115 (4)	117
C15-H15O3ⁱⁱ	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); cell refinement: PROCESS-AUTO; data reduction: CrystalStructure (Rigaku, 2010); program(s) used to solve structure: SIR92 (Altomare et al., 1993); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: PLATON (Spek, 2009); 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

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