Core dictionary (coreCIF) version 2.3.1

Category EXPTL_CRYSTAL

Name:
'_exptl_crystal_[]'

Definition:

   Data items in the EXPTL_CRYSTAL category record details about
   experimental measurements on the crystal or crystals used,
   such as shape, size or density.

Examples:

Example 1 - based on data set TOZ of Willis, Beckwith & Tozer [Acta Cryst. (1991), C47, 2276-2277].

 
    _exptl_crystal_description          prism
    _exptl_crystal_colour               colourless
    _exptl_crystal_size_max             0.32
    _exptl_crystal_size_mid             0.27
    _exptl_crystal_size_min             0.10
    _exptl_crystal_density_diffrn       1.146
    _exptl_crystal_density_meas         ?
    _exptl_crystal_density_method       'not measured'
    _exptl_crystal_F_000                656

Example 2 - using separate items to define upper and lower limits for a value.

    _exptl_crystal_density_meas_gt       2.5
    _exptl_crystal_density_meas_lt       5.0

Example 3 - here the density was measured at some unspecified temperature below room temperature.

    _exptl_crystal_density_meas_temp_lt 300

Type: null

Category: category_overview