Index

Macromolecular dictionary (mmCIF) version 2.0.09

_exptl_crystal.density_percent_sol

Definition:

   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

Type: float

Mandatory item: no

Category: exptl_crystal