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PLAT601_ALERT_2_A Structure Contains Solvent Accessible VOIDS of . 250.00 A**3

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wsht212(½ð±Ò+1):лл½»Á÷£¬Ï£Íû³£À´£¡ 2010-06-14 09:19:24
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yunruirui(½ð±Ò+1):лл½»Á÷£¬»¶Ó­³£À´£¡ 2010-06-15 09:57:58
Ô­»°ÊÇÕâô˵µÄ: Crystal structures in general do not contain large solvent accessible
voids in the lattice. Most structures loose their long-range ordening
when solvent molecules leave the crystal. Only when the remaining network
is strongly bonded (e.g. zeolites and some hydrogen bonded networks) the
crystal structure may survive.

Residual voids in a structure may indicate the omission of (disordered)
density from the model. Disordered density may go undetected when smeared
since peak search programs are not designed to locate maxima on density
ridges. The presence or absence of residual density in the void may be
veryfied on a printed/plotted difference Fourier map or with PLATON/SQUEEZE.

Voids of 40 Ang**3 may accommodate H2O. Small molecules such as Tetrahydro
Furane have typical volumes in the 100 to 200 Ang**3 range.

¼û: http://www.chem.gla.ac.uk/~louis/software/wingx//hlp/cif117.htm
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