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ͶÁËһƪÂÛÎÄ£¬Éó¸åÈ˵ÄÒâ¼ûÈçÏ£º 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. ±¾ÈËÊdzõ¸ã¾§Ì壬¶ÔÉÏÊöÒâ¼û¶¼¿´²»Ã÷°×£¬Çë¸ßÊÖ°ïæ½âÊÍһϣ¬Äܹ»ÉÏÃæÎÊÌâ¸ã¶¨¡£ Èç¹ûÄܸø³öÓ¢ÎĵĻظ´£¬±¾È˸ü¸Ð¼¤²»¾¡! |
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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
paopaomeng(½ð±Ò+1,VIP+0):лл½»Á÷ 9-11 17:14
justafly(½ð±Ò+5,VIP+0): 9-12 08:09
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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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paopaomeng(½ð±Ò+1,VIP+0):лл½»Á÷ 9-11 17:15
justafly(½ð±Ò+3,VIP+0): 9-12 08:09
paopaomeng(½ð±Ò+1,VIP+0):лл½»Á÷ 9-11 17:15
justafly(½ð±Ò+3,VIP+0): 9-12 08:09
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3Â¥2009-09-11 11:22:53














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