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The structure of (C4H6N3)2[CuBr4] has been studied using X-ray diffraction techniques at 200 and 100 K. The molecular structure has ideal square-planar [CuBr4]2- groups, bonded to protonated organic molecules not only through hydrogen bonds, but also via the lone pair of one N atom through a coordinative Cu-N bond so making the other N atom protonated. The copper coordination changes slightly at lower temperatures towards an octahedral coordination. The compound presents Jahn-Teller distortion as confirmed by magnetic measurements; there is antiferromagnetic ordering at Tn = 30 K with a broad peak indicating that the system is one-dimensional.

Supporting information

cif

Crystallographic Information File (CIF)
Contains datablocks I, II, global

hkl

Structure factor file (CIF format)
Contains datablock I

hkl

Structure factor file (CIF format)
Contains datablock II

CCDC references: 129478; 129479

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