Temperature-dependent X-ray diffraction studies were carried out on a single crystal of 1 at 280, 170, and 110 K to establish a magneto-structural correlation in 1 (vide infra) using a laboratorybased X-ray diffractometer. Crystallographic data and structural parameters are provided in Table . Selected bond distances and angles are given in Tables and. and Figure ). The average Fe-N bond distance is 2.174 Å, which lies in the range expected for HS iron(II) Å. The significant deviation from linearity in Nam-Fe-Nam angle was observed from 180° to 147.99(7)°, while a slight deviation from 90° to 79.91(7)° and 85.84(8)° was observed for NPy-Fe-NPy and Nbik*-Fe-Nbik* angles in equatorial plane respectively (Tables ).