[C₃N₂H₁₂]·[MnAl₃P ₄O₁₇] · [H₃O]: A manganese (II)-substituted aluminophosphate with zeotype AFN topology

Using 1,3-propyldiamine (1,3-PDA) as the structure-directing agent, a new manganese (II)-substituted aluminophosphate [C₃N₂H ₁₂] · [MnAl₃P₄O₁₇] · [H₃O] (denoted MnAPO-14-PDA) containing five-coordinated Mn ²⁺ ions has been hydrothermally synthesized. The structure has been solved by single-crystal X-ray diffraction analysis and further characterized by X-ray powder diffraction, ICP and TG analyses. Differently from our recently reported MnAPO-14-DABCO built up from MnO₄(H₂O) ₂ octohedra, AlO₄ and PO₄ tetrahedra, MnAPO-14-PDA is made of MnO₅ trigonal bipyramid, AlO₆ octohedra, AlO₄ and PO₄ tetrahedra. Its framework is analogous to aluminophosphate zeotype AFN in which 25% of the aluminum sites are replaced by Mn(II) atoms. The diprotonated 1,3-PDA cations and protonated H₂O molecules reside in the 8-membered ring (MR) channels. Computational simulations indicate that the substitution sites and coordination modes of Mn atoms in the framework are determined by the structure-directing agent (SDA) through the host-guest interactions. Crystal data: [C ₃N₂H₁₂] · [MnAl₃P ₄O₁₇] · [H₃O], triclinic P-1 (No.2), a = 9.799(3) Å, b = 9.799(3) Å, c = 11.203(4) Å, α = 72.708(4)°, β = 72.708(4)°, γ = 88.11(0)°, Z = 2, R ₁ = 0.0775 (I > 2σ(I)) and wR₂ = 0.2079 (all data).