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_exptl_crystal_description        block
_exptl_crystal_colour             colorless
_exptl_crystal_size_max           0.16
_exptl_crystal_size_mid           0.12
_exptl_crystal_size_min           0.10
_exptl_crystal_density_meas       ?
_exptl_crystal_density_diffrn     1.878
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000              848
_exptl_absorpt_coefficient_mu     5.577
_exptl_absorpt_correction_type    none
_exptl_absorpt_correction_T_min   ?
_exptl_absorpt_correction_T_max   ?
_exptl_absorpt_process_details    ?
  
_exptl_special_details

˵ÊÇ
PLAT057 Type_3 Test for correction for absorption needed
--------------------------------------------------------------------------------

You have indicated that an absorption correction has not been applied.
(_exptl_absorpt_correction_type 'none'). However, the predicted values of
Tmin & Tmax, based on the crystal dimensions given in the CIF, are
sufficiently unequal that absorption effects appear to be significant.
Therefore, the application of a suitable absorption correction would
appear to be required. Also check that the crystal dimensions given in the
CIF do represent the actual crystal dimensions as closely as possible.
Inaccuracies here can lead to a poor prediction of Tmin & Tmax and give
rise to these alerts. It should normally be possible to estimate the
crystal dimensions to 2 decimal places. Rough estimates to only 1 decimal
place may be too inaccurate to provide reliable estimates of Tmin & Tmax.

[ Last edited by ÀòÀòË¿ on 2010-6-28 at 23:06 ]
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