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Item _exptl_crystal.density_percent_sol

Description

              Density value P calculated from the crystal cell and contents,
               expressed as per cent 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  = a conversion factor evaluated as:

                       (0.74 cm^3^/g) (10^24^ A^3^/cm^3^)
                       --------------------------------------
                            (6.02*10^23^) molecules/mole

                       where 0.74 is an assumed value for the partial specific
                       volume of the molecule

Category

Mandatory Code

Data Type Code

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