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wangyong8569

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calculated                                                         reported
volume 2686.4(9)                                              2686.5(9)


sum formula c27 h23 cl2 f5.58 n5 o os p    c27 h23 cl2 f6 n5 o os p
mr 831.70                                                          839.57
dx,g cm-3 2.056                                                2.076

mu (mm-1) 5.079                                               5.082

atom z*formula cif sites diff
c 108.00 108.00 0.00
h 92.00     92.00 0.00
cl 8.00       8.00 0.00
f 24.00    22.34 1.66     <---
n 20.00    20.00 0.00
o 4.00       4.00 0.00
os 4.00     4.00 0.00
p 4.00       4.00 0.00
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  • ¸½¼þ 1 : A.cif
  • 2022-11-23 08:32:14, 320.39 K
  • ¸½¼þ 2 : a.cif
  • 2022-11-23 09:04:41, 324 K

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