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Synthesis and Crystal Structure of MnII(OAc)2[15-MC IIIMn (N)shi-5](Im)3(EtOH)3 (shi3− = salicylhydroximate, OAc = acetate, Im = imidazole, and EtOH = ethanol)

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Abstract

The metallacrown complex MnII(OAc)2[15-MC IIIMn (N)shi-5](Im)3(EtOH)3 has been synthesized and characterized by single-crystal X-ray diffraction and infrared spectroscopy. The compound crystallizes in the monoclinic space group P21/c with a = 24.3326(15) Å, b = 24.0354(15) Å, c = 27.0531(17) Å, α = 90.00°, β = 100.3883(11)°, γ = 90.00°, V = 15562.5(17) Å3, Z = 4, and Z′ = 2. Four of the five manganese(III) ions of the metallacrown ring adopt a distorted octahedral coordination geometry, and the fifth manganese(III) ion is five coordinate and exhibits a distorted square pyramidal environment. The configuration of the manganese(III) ions about the ring follows a pattern of ΔΛΔPP, with P representing planar. In addition, the imidazole units are bound to three separate ring manganese(III) ions, and the imidazole units are directed to the outside of the molecule. A manganese(II) ion is encapsulated in the central core of the molecule, and the central ion is seven coordinate with a face-capped trigonal prismatic geometry.

Index Abstract

The metallacrown complex MnII(OAc)2[15-MC IIIMn (N)shi-5](Im)3(EtOH)3 was synthesized and characterized by FT-IR and single-crystal X-ray diffraction.

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Acknowledgements

This work was funded by The Shippensburg University Foundation UG 2430-05 and 2367-057 to C.M.Z, and the diffractometer was funded by NSF grant 0087210, by Ohio Board of Regents grant CAP-491, and by YSU. The authors thank Dr. Daniel P. Predecki of Shippensburg University for his useful discussions.

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Correspondence to Curtis M. Zaleski.

Electronic Supplementary Material

ORTEP figures of 2a and 2b. CCDC 743066 contains the supplementary crystallographic data for this paper. These data can be obtained free of charge via www.ccdc.cam.ac.uk/data_request/cif, by e-mailing data_request@ccdc.cam.ac.uk, or by contacting The Cambridge Crystallographic Data Centre 12 Union Road Cambridge CB2 1EZ, UK; fax: +44(0)1223-336033.

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Emerich, B., Smith, M., Zeller, M. et al. Synthesis and Crystal Structure of MnII(OAc)2[15-MC IIIMn (N)shi-5](Im)3(EtOH)3 (shi3− = salicylhydroximate, OAc = acetate, Im = imidazole, and EtOH = ethanol). J Chem Crystallogr 40, 769–777 (2010). https://doi.org/10.1007/s10870-010-9735-5

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