Ab initio structure study from in-house powder diffraction of a novel ZnS(EN)0.5 structure with layered wurtzite ZnS fragment

The solvothermal reaction of elemental zinc with sulfur in ethylenediamine (en) as solvent yields [ZnS·0.5(NH2CH2CH2NH2)], 1, an unprecedented ethylenediamine pillared ZnS layered compound, containing two dimensional (2-D) boat-type 6-membered rings, which was characterized by ab initio structure solution from powder diffraction data (SDPD).