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Jahn–Teller Effect in the [CuEn3]CrO4 Structure

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Abstract

A change in the coordination of the copper atom in the crystal structure of [CuEn3]CrO4 (En is ethylenediamine) in studied in the range 150–300 K. According to the single crystal X-ray diffraction (XRD) data at 150 K, the single crystal has a complicated twining character based on the triclinic cell (a = 9.027(2) Å, b = 13.335(3) Å, c = 13.339(3) Å, α = 71.77(3)°, β = 70.53(3)°, γ = 70.42(3)°) composed of two crystallographically independent [CuEn3]2+ complex cations. The coordination of copper atoms is a distorted square bipyramid; four short Cu–N distances lie in the range 2.049-2.082 Å; two long ones are 2.415 Å and 2.470 Å. According to the differential scanning calorimetry (DSC) data, near 218 K there is a phase transition. The single crystal XRD experiment performed at 250 K (a = 15.6992(19) Å, c = 9.7573(13) Å, V = 2082.6(6) Å3, space group P\(\bar 3\)c1 (No. 165), Z = 6) shows that chromate anions are disordered over three positions about the с axis, and Cu–N distances are 2.120-2.177 Å. According to the DSC data, on further heating the structure undergoes yet another two alterations (260 K and 270 K) due to the disordering of oxygen atoms of chromate anions and the subsequent equalization of Cu–N distances. At 300 K in the structure (a = 9.0778(6) Å, c = 9.7715(5) Å, V = 697.4 Å3, space group P\(\bar 3\)c (No. 163), Z = 2) all Cu–N distances are 2.155 Å, and chromate anions are disordered over six positions about the с axis. A comparative crystal chemical analysis of the packing of the studied structures is carried out.

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Authors and Affiliations

  1. Nikolaev Institute of Inorganic Chemistry, Siberian Branch, Russian Academy of Sciences, Novosibirsk, Russia

    A. S. Sukhikh, S. P. Khranenko, D. P. Pishchur & S. A. Gromilov

  2. Novosibirsk State University, Novosibirsk, Russia

    A. S. Sukhikh & S. A. Gromilov

Authors
  1. A. S. Sukhikh
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  2. S. P. Khranenko
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  3. D. P. Pishchur
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  4. S. A. Gromilov
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Correspondence to S. A. Gromilov.

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Original Russian Text © 2018 A. S. Sukhikh, S. P. Khranenko, D. P. Pishchur, S. A. Gromilov.

Translated from Zhurnal Strukturnoi Khimii, Vol. 59, No. 3, pp. 679–686, March-April, 2018.

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Sukhikh, A.S., Khranenko, S.P., Pishchur, D.P. et al. Jahn–Teller Effect in the [CuEn3]CrO4 Structure. J Struct Chem 59, 657–663 (2018). https://doi.org/10.1134/S0022476618030228

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  • DOI: https://doi.org/10.1134/S0022476618030228

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