diffraction pattern of 40 monolayers of C17-COM-BEDT-TTF
deposited from 10-4 M FeCl3 solution at pH 3.8.
structure determination includes (1) calculation of unit-cell
parameters from diffraction data; (2) search for possible
variants of close packing of molecules in the unit-cell; (3)
minimization of interaction energy for selected variants; (4)
structure choice on the basis of comparison of experimental and
calculated intensities of reflections.