Figure 1 Iterative cell optimization of Vie-1, an NdIII-based metal–organic framework (triclinic space group ): a, b, c axes, α, β, γ angles, R1 values, and Z scores. Z scores show the difference of the models after and before cell optimization with CELLOPT(C++). Negative values refer to a lower Z score after optimization and thus to an improvement of the geometry.