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The experimental refinement section simply states that the H atoms were freely refined, however this is not correct: most H atoms were placed in constrained positions. Please give details as to how the H atoms were placed, and also give more details about the 3 restraints that were used, i.e. give the values of the bond lengths and angles that were used.

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zcy800204

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paopaomeng(½ð±Ò+1,VIP+0):лл½»Á÷ 9-11 17:14
justafly(½ð±Ò+5,VIP+0): 9-12 08:09
H atoms were placed in geometrically idealized positions and
constrained to ride on their parent atoms, with d(C¡ªH) of 0.93 to
0.97 Å, and with Uiso(H) = 1.2 Ueq(C). All H atoms on N atoms
were found in difference Fourier and refined with Uiso(H) = 1.2
Ueq(N).
2Â¥2009-09-11 11:19:35
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xi2004

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paopaomeng(½ð±Ò+1,VIP+0):лл½»Á÷ 9-11 17:15
justafly(½ð±Ò+3,VIP+0): 9-12 08:09
ÄãÒª°Ñ×îÖÕµÄ.resÌù³öÀ´, ´ó¼Ò¿´Á˲ÅÖªµÀÈçºÎÃèÊö.
xi2004-emuch@163.com
3Â¥2009-09-11 11:22:53
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