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Category exptl_crystal
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Category Description
Data items in the EXPTL_CRYSTAL category record details about
experimental measurements on the crystal or crystals used,
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_crystal.id xst2l
_exptl_crystal.colour 'pale yellow'
_exptl_crystal.density_diffrn 1.113
_exptl_crystal.density_Matthews 1.01
_exptl_crystal.density_meas 1.11
_exptl_crystal.density_meas_temp 294.5
_exptl_crystal.density_method 'neutral buoyancy'
_exptl_crystal.density_percent_sol 0.15 # p = 1 - (1.23*N*MMass) / V
_exptl_crystal.description 'hexagonal rod, uncut'
_exptl_crystal.F_000 202
_exptl_crystal.preparation
;
hanging drop, crystal soaked in 10% ethylene glycol for 10 h, then
placed in nylon loop at data collection time
;
_exptl_crystal.size_max 0.30
_exptl_crystal.size_mid 0.20
_exptl_crystal.size_min 0.05
_exptl_crystal.size_rad 0.025
Key Category Items
Items in Category exptl_crystal
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Resource Collaboratory for Structural Bioinformatics
Rutgers University, Department of Chemistry
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