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+  XL  -  CRYSTAL STRUCTURE REFINEMENT  -  SHELXTL Ver. 6.10 W95/98/NT/2000  +
+  Copyright(c) 2000 Bruker-AXS                         All Rights Reserved  +
+  ka144-squeeze                         started at 15:31:02 on 09-Oct-2002  +
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Read instructions and data
Data:   18424 unique,      0 suppressed   R(int) = 0.0000   R(sigma) = 0.0280
Systematic absence violations:    0    Bad equivalents:    0
  ** Cell contents from UNIT instruction and atom list do not agree **
wR2 =  0.0517 before cycle   1 for  18424 data and   991 /   991 parameters
GooF = S =     1.058;     Restrained GooF =      1.058  for      0 restraints
Mean shift/esd =   0.002    Maximum =  -0.084 for  U13 AuA        at 15:35:13
Max. shift = 0.000 A for C33A      Max. dU = 0.000 for C13B                  
wR2 =  0.0517 before cycle   2 for  18424 data and   991 /   991 parameters
GooF = S =     1.058;     Restrained GooF =      1.058  for      0 restraints
Mean shift/esd =   0.001    Maximum =  -0.028 for  U13 AuA        at 15:43:14
Max. shift = 0.000 A for C28B      Max. dU = 0.000 for C13B                  
wR2 =  0.0517 before cycle   3 for  18424 data and   991 /   991 parameters
GooF = S =     1.059;     Restrained GooF =      1.059  for      0 restraints
Mean shift/esd =   0.000    Maximum =   0.005 for  U22 AuA        at 15:50:15
Max. shift = 0.000 A for H32A      Max. dU = 0.000 for C10B                  
wR2 =  0.0517 before cycle   4 for  18424 data and   991 /   991 parameters
GooF = S =     1.059;     Restrained GooF =      1.059  for      0 restraints
Mean shift/esd =   0.000    Maximum =   0.004 for   x  AuB        at 15:58:04
Max. shift = 0.000 A for H42B      Max. dU = 0.000 for C43B                  
wR2 =  0.0517 before cycle   5 for  18424 data and     0 /   991 parameters
GooF = S =     1.059;     Restrained GooF =      1.059  for      0 restraints
R1 =  0.0227 for  15135 Fo > 4sig(Fo)  and  0.0306 for all  18424 data
wR2 =  0.0517,  GooF = S =   1.059,  Restrained GooF =    1.059  for all data
R1 =  0.0298 for  18424 unique reflections after merging for Fourier
Highest peak    0.56  at  0.1392  0.3285  0.0484  [  0.81 A from AUB ]
Deepest hole   -0.63  at  0.1566  0.2898  0.0244  [  0.69 A from AUB ]

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+  ka144-squeeze finished at 15:58:18   Total elapsed time:    1636.4 secs  +
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