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Volume 68 
Part 12 
Pages m1500-m1501  
December 2012  

Received 24 October 2012
Accepted 9 November 2012
Online 17 November 2012

Key indicators
Single-crystal X-ray study
T = 296 K
Mean [sigma](C-C) = 0.012 Å
R = 0.053
wR = 0.157
Data-to-parameter ratio = 19.7
Details
Open access

A salen-type trinuclear Zn2Gd complex

aKey Laboratory of Functional Inorganic Material Chemistry (HLJU), Ministry of Education, School of Chemistry and Materials Science, Heilongjiang University, Harbin 150080, People's Republic of China
Correspondence e-mail: sunwbchem@gmail.com

In the trinuclear title complex, di-[mu]-acetato-1:2[kappa]2O:O';2:3[kappa]2O:O'-bis{[mu]-6,6'-dimethoxy-2,2'-[cyclohexane-1,2-diylbis(methanylylidene)]diphenolato}-1:2[kappa]6O1,N,N',O1':O6,O6';2:3[kappa]6O6,O6':O1,N,N',O1'-2-gadolinium(III)-1,3-dizinc hexafluoridophosphate methanol monosolvate monohydrate, [GdZn2(C22H24N2O4)2(CH3COO)2]PF6·CH3OH·H2O, the two ZnII ions are located in the inner N2O2 cavities of two 6,6'-dimethoxy-2,2'-[cyclohexane-1,2-diylbis(methanylylidene)]diphenolate (L) ligands. Both ZnII ions are five-coordinated by two O atoms and two N atoms from the L ligand and one O atom of an acetic acid molecule, giving rise to a square-pyramidal geometry around the ZnII ions. The GdIII ion is nine-coordinated by four O atoms from the outer O2O2 sites of one ligand, and three O atoms from another ligand, in which there is one non-coordinating methoxy O atom. Two further O atom from different acetate ligands complete the nine-coordinate environment.

Related literature

For crystal structures of similar trinuclear complexes of salen-type Schiff base ligands, see: Wong et al. (2006[Wong, W. K., Yang, X. P., Jones, R. A., Rivers, J. H., Lynch, V., Lo, W. K., Xiao, D., Oye, M. M. & Holmes, A. (2006). Inorg. Chem. 45, 4340-4345.]); Wang et al. (2009[Wang, H. L., Zhang, D. P., Ni, Z. H., Li, X. Y., Tian, L. J. & Jiang, J. Z. (2009). Inorg. Chem. 48, 5946-5956.]).

[Scheme 1]

Experimental

Crystal data
  • [GdZn2(C22H24N2O4)2(C2H3O2)2]PF6·CH4O·H2O

  • Mr = 1361.97

  • Monoclinic, P 21 /n

  • a = 15.8127 (12) Å

  • b = 20.6405 (16) Å

  • c = 18.5036 (14) Å

  • [beta] = 114.369 (1)°

  • V = 5501.2 (7) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 2.17 mm-1

  • T = 296 K

  • 0.20 × 0.18 × 0.16 mm

Data collection
  • Rigaku R-AXIS RAPID diffractometer

  • Absorption correction: multi-scan (ABSCOR; Higashi, 1995[Higashi, T. (1995). ABSCOR. Rigaku Corporation, Tokyo, Japan.]) Tmin = 0.671, Tmax = 0.723

  • 39974 measured reflections

  • 13701 independent reflections

  • 6858 reflections with I > 2[sigma](I)

  • Rint = 0.066

Refinement
  • R[F2 > 2[sigma](F2)] = 0.053

  • wR(F2) = 0.157

  • S = 0.98

  • 13701 reflections

  • 695 parameters

  • 19 restraints

  • H-atom parameters constrained

  • [Delta][rho]max = 1.02 e Å-3

  • [Delta][rho]min = -0.71 e Å-3

Data collection: RAPID-AUTO (Rigaku, 1998[Rigaku (1998). RAPID-AUTO. Rigaku Corporation, Tokyo, Japan.]); cell refinement: RAPID-AUTO; data reduction: CrystalStructure (Rigaku/MSC, 2002[Rigaku/MSC (2002). CrystalStructure. Rigaku/MSC Inc., The Woodlands, Texas, USA.]); 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: SHELXTL (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); software used to prepare material for publication: SHELXTL.


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: PV2601 ).


Acknowledgements

The authors gratefully acknowledge financial support from the NSFC of China (No. 21102039), Heilongjiang Province (Nos. 11551336 and 11521205), the Undergraduate Open Experiment Programme of Heilongjiang University and the Undergraduate Science and Technique Innovation Programme of Students and Heilongjiang University (No. QL201021).

References

Higashi, T. (1995). ABSCOR. Rigaku Corporation, Tokyo, Japan.
Rigaku (1998). RAPID-AUTO. Rigaku Corporation, Tokyo, Japan.
Rigaku/MSC (2002). CrystalStructure. Rigaku/MSC Inc., The Woodlands, Texas, USA.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Wang, H. L., Zhang, D. P., Ni, Z. H., Li, X. Y., Tian, L. J. & Jiang, J. Z. (2009). Inorg. Chem. 48, 5946-5956.  [ISI] [CSD] [CrossRef] [PubMed] [ChemPort]
Wong, W. K., Yang, X. P., Jones, R. A., Rivers, J. H., Lynch, V., Lo, W. K., Xiao, D., Oye, M. M. & Holmes, A. (2006). Inorg. Chem. 45, 4340-4345.  [ISI] [CSD] [CrossRef] [PubMed] [ChemPort]


Acta Cryst (2012). E68, m1500-m1501   [ doi:10.1107/S160053681204634X ]

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