In this paper, one imidazole macrocyclic divalent cation with flexible configuration was chosen with the aim of the immobilization of its conformation. One novel organic-inorganic hybrid supramolecule {[syn/syn–OM–IM–C] (CdI2)[syn/anti–OM–IM–C’](Cd’I’2)} (1), [OM–IM–C2+ = (12Z,52Z)–11H,51H–1,5(1,3)-diimidazol-3-iuma-3,7(1,2)-dibenzenacyclooctaphane-13,53-diium] has been synthesized through the self-assembly reaction of OM–IM–C2+ with CdI2 under solvothermal reaction. This compound has been unambiguously confirmed by PXRD, IR, TG, Elemental analysis, theoretical calculation and X-ray single crystal diffraction. Crystallographic analysis shows that the anion of compound 1 is mononuclear structure. The stability of compound 1 is relatively good.