Non-spherical atom refinement applied in structure determination of (N2H6)(H3F4)2 and crystal structure re-determination of N2H6F2.

Abstract

Hydrazinium trihydrogen tetrafluoride was synthesized and its structure investigated. Its crystal structure, determined by single-crystal X-ray diffraction, consists of N2H62+ dications and trigonal H3F4- anions interconnected via a complex system of N-H···F hydrogen bonds. The crystal structure of hydrazinium fluoride was redetermined. For more accurate determination of hydrogen atoms positions, non-spherical atom refinement was performed for both structures.