              Density value P calculated from crystal cell and contents,\
               expressed as percent solvent.\
\
               P = 1 - (1.23 N MMass) / V\
\
               N     = the number of molecules in the unit cell\
               MMass = the molecular mass of each molecule (gm/mole)\
               V     = the volume of the unit cell (A^3^)\
               1.23  = the evaluated conversion factor:\
\
                       (0.74 cm^3^/gm^3^) (10^24^ A^3^/cm^3^)\
                       --------------------------------------\
                            (6.02*10^23^) moles/molecule\
\
                       where 0.74 is an assumed value for the partial specific\
                       volume of the molecule