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Category exptl
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Category Description
Data items in the EXPTL category record details about the
growth of the crystal, and about experimental measurements on
the crystal, such as shape, size, density, and so on.
Category Examples
Example 1:
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
;
Key Category Items
Items in Category exptl
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This HTML dictionary was created using the
CIFLIB C Language Application Program Interface
at the
Resource Collaboratory for Structural Bioinformatics
Rutgers University, Department of Chemistry
New Brunswick, New Jersey
help@rcsb.rutgers.edu