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Index

Macromolecular dictionary (mmCIF) version 2.0.09

Category EXPTL

Name:
'exptl'

Description:

   Data items in the EXPTL category record details about the
   experimental work prior to the intensity measurements and
   details about the absorption-correction technique employed.

Example:

Example 1 - based on laboratory records for Yb(S-C5H4N)2(THF)4.
 
    _exptl.entry_id                    datablock1
    _exptl.absorpt_coefficient_mu      1.22
    _exptl.absorpt_correction_T_max    0.896
    _exptl.absorpt_correction_T_min    0.802
    _exptl.absorpt_correction_type     integration
    _exptl.absorpt_process_details
    ; Gaussian grid method from SHELX76
      Sheldrick, G. M., "SHELX-76: structure determination and
      refinement program", Cambridge University, UK, 1976
    ;
    _exptl.crystals_number             1
    _exptl.details
    ; Enraf-Nonius LT2 liquid nitrogen variable-temperature
      device used
    ;
    _exptl.method             'single-crystal x-ray diffraction'
    _exptl.method_details
    ; graphite monochromatized Cu K(alpha) fixed tube and
      Enraf-Nonius CAD4 diffractometer used
    ;



Category groups:
    inclusive_group
    exptl_group
Category key:
    _exptl.entry_id

Mandatory category: no