Host-guest energetic materials constructed by incorporating oxidizing gas molecules into an organic lattice cavity toward achieving highly-energetic and low-sensitivity performanceElectronic supplementary information (ESI) available: Experimental procedures, structural description of HNIW/N2O and HNIW/CO2, IR, PXRD, DSC-TG, TG-FTIR and morphologies. CCDC 1585914 and 1585915. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c8cc07347c

A promising strategy for the preparation of novel gas inclusion host-guest energetic materials was provided by incorporating powerful oxidizer N 2 O into the crystal lattice cavity of 2,4,6,8,10,12-hexanitrohexaazatetracyclododecane (HNIW). The HNIW/N 2 O complex crystal exhibits a surprisingly high crystallographic density (2.038 g cm −3 at 298 K), more thermal stability, better predicted detonation properties and lower sensitivity compared to -HNIW due to its enhanced packing density, improved oxidation effect and added heat-release after N 2 O insertion. Powerful oxidizer N 2 O was incorporated into an organic lattice cavity through aeration crystallization, and smart host-guest energetic materials with highly-energetic and low-sensitivity performance were obtained.