A compound for radio metal complexation includes a chelator and one or more biological targeting vectors TV conjugated to said chelator, wherein the chelator has structure (A) or (B) or (C),based on 1,4-diazepine with groups R1, R2, R3, R4, X1, X2, X3. The compound is particularly suited for complexation of radio-isotopic metals, such as 66Ga(III), 67Ga(III) and 68Ga(III).