The proposed strategy for efficient H2 adsorption/storage has been further validated in a MOF with a different local coordination around the Fe metal center, i.e. Fe2(tpt)2(NCS)4 MOF. The predicted adiabatic energy difference between HS and LS states upon H2 adsorption (∆EH-L=0.342 eV) shows that this compound is an excellent candidate for applications in hydrogen storage technologies. The strong interaction in LS, which is consistent with a Kubas mechanism, may lead to an efficient adsorption and high storage capacity at noncryogenic conditions while the adiabatic energy difference is compatible with a temperature induced spin crossover near room temperature.