TITL 2007src1375 in Pnma
CELL  0.71073   8.3358  26.3096   5.6923   90.000   90.000   90.000
ZERR     4.00   0.0006   0.0017   0.0003    0.000    0.000    0.000
LATT   1
SYMM  1/2 - X, - Y, 1/2 + Z
SYMM  - X, 1/2 + Y, - Z
SYMM  1/2 + X, 1/2 - Y, 1/2 - Z
SFAC  C    H    S
UNIT  72   48   4
MERG   2
OMIT    -3.00  55.00
FMAP   2
PLAN   10
BOND $H
CONF
SIZE     0.01   0.15   0.26
ACTA
L.S.   5
TEMP  -153.00
WGHT    0.052300    2.488100
FVAR       0.67170
C1    1    0.366216    0.296226    0.079876    11.00000    0.02168    0.03014 =
         0.02475    0.00038    0.00252    0.00124
C2    1    0.280450    0.276798   -0.106292    11.00000    0.02162    0.02895 =
         0.02215    0.00124    0.00198    0.00048
C3    1    0.210452    0.318954   -0.249809    11.00000    0.02629    0.03229 =
         0.02041    0.00169   -0.00298    0.00129
AFIX  23
H3A   2    0.091743    0.317810   -0.249204    11.00000   -1.20000
H3B   2    0.249407    0.317824   -0.414023    11.00000   -1.20000
AFIX   0
C4    1    0.273316    0.365870   -0.120771    11.00000    0.02241    0.03170 =
         0.02573   -0.00274    0.00354   -0.00001
C5    1    0.250155    0.416767   -0.171522    11.00000    0.03404    0.03380 =
         0.02774    0.00343    0.00356    0.00348
AFIX  43
H5    2    0.188871    0.426749   -0.304453    11.00000   -1.20000
AFIX   0
C6    1    0.318222    0.453074   -0.024392    11.00000    0.03830    0.02609 =
         0.03772    0.00039    0.00675    0.00220
AFIX  43
H6    2    0.303369    0.488170   -0.057072    11.00000   -1.20000
AFIX   0
C7    1    0.407328    0.438455    0.169048    11.00000    0.03484    0.03086 =
         0.03746   -0.00537    0.00470   -0.00184
AFIX  43
H7    2    0.452418    0.463897    0.267360    11.00000   -1.20000
AFIX   0
C8    1    0.432694    0.387863    0.223509    11.00000    0.02593    0.03411 =
         0.02925   -0.00195    0.00028   -0.00040
AFIX  43
H8    2    0.494570    0.378317    0.356534    11.00000   -1.20000
AFIX   0
C9    1    0.364961    0.351556    0.077818    11.00000    0.02023    0.03092 =
         0.02427    0.00083    0.00512    0.00167
S1    3    0.450760    0.250000    0.255798    10.50000    0.02781    0.02914 =
         0.02542    0.00000   -0.00653    0.00000
HKLF    4  1.0  0.00  1.00  0.00  0.00  0.00  1.00  1.00  0.00  0.00
 
REM  2007src1375 in Pnma
REM R1 =  0.0629 for   1201 Fo > 4sig(Fo)  and  0.0780 for all   1461 data
REM     88 parameters refined using      0 restraints
 
END
 
WGHT      0.0520      2.4940
REM Highest difference peak  0.913,  deepest hole -0.336,  1-sigma level  0.078
Q1    1   0.2085  0.2500 -0.2371  10.50000  0.05    0.91
Q2    1   0.2187  0.2879 -0.2379  11.00000  0.05    0.46
Q3    1   0.4429  0.2829  0.2007  11.00000  0.05    0.45
Q4    1   0.4595  0.3183  0.2797  11.00000  0.05    0.38
Q5    1   0.2600  0.3424 -0.1790  11.00000  0.05    0.37
Q6    1   0.3774  0.4335  0.0492  11.00000  0.05    0.36
Q7    1   0.4198  0.4139  0.1795  11.00000  0.05    0.36
Q8    1   0.3752  0.3246  0.1023  11.00000  0.05    0.35
Q9    1   0.3900  0.3717  0.1428  11.00000  0.05    0.33
Q10   1   0.2907  0.4255 -0.0797  11.00000  0.05    0.32