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The crystal structure and IR spectra of μ-(bipyrimidine-N1,N1′,N5,N5′)-bis[(azido-N1)(methanol)(bipyrimidine-N1,N1′)copper(II)] bis(triflate) bis(methanol)

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Abstract

The structure of the title compound [Cu2(bipym)3(N3)2(CH3OH)2](CF3SO3)2(CH3OH)2 has been determined by X-ray diffraction. The crystals are triclinic, space group P1, with a = 8.1844(5), b = 11.0253(6), c = 12.9089(7) Å, α = 80.249(4), β, = 74.933(5), γ = 74.001(4)°, and Z = 1. The structure consists of a dinuclear Cu(II) unit formed of two didentate bipym ligands, one bis-didentate bipym ligand, two azido anions, and two coordinating methanol molecules. The Cu(II) atom is elongated tetragonally surrounded by two nitrogens of the didentate bipym ligand, one nitrogen of the bis-didentate ligand, and one nitrogen of the azido anion forming the equatorial plane with one nitrogen of the bis-didentate ligand and an oxygen atom of the methanol molecule as the axial atoms. A noncoordinating triflate anion and an additional methanol molecule are also in the crystal lattice and have a hydrogen bond distance of 2.801(3) Å with an angle of 157(4)°. The cations link by O – H ··· N bonds into infinite chains running in the c-direction.

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Authors and Affiliations

  1. Leiden Institute of Chemistry, Gorlaeus Laboratories, Leiden University, P.O. Box 9502, 2300 RA, Leiden, Netherlands

    Gerard A. van Albada & Jan Reedijk

  2. Bijvoet Center for Biomolecular Research, Vakgroep Kristalen Structuurchemie, Utrecht University, Padualaan 8, 3584 CH, Utrecht, Netherlands

    Wilberth J. J. Smeets & Anthony L. Spek

Authors
  1. Gerard A. van Albada
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  2. Wilberth J. J. Smeets
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  3. Anthony L. Spek
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  4. Jan Reedijk
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van Albada, G.A., Smeets, W.J.J., Spek, A.L. et al. The crystal structure and IR spectra of μ-(bipyrimidine-N1,N1′,N5,N5′)-bis[(azido-N1)(methanol)(bipyrimidine-N1,N1′)copper(II)] bis(triflate) bis(methanol). Journal of Chemical Crystallography 28, 427–432 (1998). https://doi.org/10.1023/A:1021760420238

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