A coordination compound constructed from a nitronyl nitroxide biradical NITPh(3-NIT) and Cu^II(hfac)₂(H₂O)₂ building blocks [NITPh(3-NIT) = 1,3-bis(1′-oxyl-3′-oxido-4′,4′, 5′, 5′-tetramethyl-4,5-dihydro-1H-imidazol-2-y1)-benzene, hfac = hexafluoroacetylacetonato] is successfully synthesized. The crystal structure is determined by X-ray single-crystal diffraction. The asymmetric complex {[(NITPh(3-NIT)]Cu(hfac)₂} consists of one Cu(II) ion and two >N–O^• groups and adopts a distorted triangular bipyramid with a penta-coordinated central copper(II) atom and three hfac oxygen atoms at the base and a >N–O^• oxygen atom and one hfac oxygen atom at the apices. Intramolecular O. . .O bonding and π–π stacking interactions are observed between molecules. A magnetic susceptibility study of the coordination compound shows antiferromagnetic interactions between Cu(II) ions and >N–O^• groups and very weak ferromagnetic interactions between Cu(II) ions and the free >N–O^• group through O. . .O bonding between the nitroxide group oxygen atom and the oxygen atom of hfac.

由硝化基氮氧化物双自由基NITPh（3-NIT）和Cu ^II（hfac）₂（H ₂ O）₂构件[NITPh（3-NIT）= 1,3-bis（1'-oxyl-3）构建的配位化合物成功合成了'-oxido-4'，4'，5'，5'-四甲基-4,5-二氢-1 H-咪唑-2-y1）-苯，hfac =六氟乙酰丙酮]。晶体结构通过X射线单晶衍射确定。不对称络合物{[（（NITPh（3-NIT）] Cu（hfac）₂）由一个Cu（II）离子和两个> N–O ^•基团组成，并采用具有五配位中心铜（II）的扭曲三角双锥体）原子和三个hfac氧原子在碱基处，且> N–O ^•末端有一个氧原子和一个hfac氧原子。分子内O 在分子之间观察到.O键和π–π堆积相互作用。对配位化合物的磁化率研究表明，Cu（II）离子与> N–O ^•基团之间存在反铁磁相互作用，Cu（II）离子与自由的> N–O ^•基团之间通过O.产生的铁磁相互作用非常弱。氮氧化物基团的氧原子与hfac的氧原子之间的.O键。