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huanghs50

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[ÇóÖú] Î»ÒÆ²ÎÊýÐÞ¸Ä

×î½üͶÁËһƪÎÄÕµ½ J.Mol.Struct.,Éó¸åÈË˵NaµÄÎ»ÒÆ²ÎÊýÓÐÎÊÌâ,ÐèÒªÐÞ¸Ä. Éó¸åÒâ¼ûÈçÏÂ:
Reviewer #1: This well written paper lacks in a detailed analysis of the displacement parameters in the structure. The sodium atom apeears isotropically refined, with an enormously large value; considering it to be the heaviest atom in the structure, this is unusual. My suspicion is that the sodium atom may be disordered, my suspicion supported by larger thermal parameters of the oxygen close by and a rather large R1 value.
Thus, the authors need to 1) resolve the Na-displacement parameter problem, 2) submit a cif-file, 3) provide a checkcif output, without which the paper cannot be accepted.
Although these improvements will not make any change to the argumentation in the manuscript, it will enhance the quality of the presented data considerably.
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  • 2013-05-11 17:36:14, 9.88 K

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updayday: ½ð±Ò+1, ¸ÐлÄúµÄÈÈÐIJÎÓë 2013-05-16 03:00:09
O1 O 0.5121(5) 0.6054(5) 0.6588(5) 0.0519(12) Uani 1 1 d . . .
O2 O 0.3717(5) 0.3834(5) 0.6676(5) 0.0517(12) Uani 1 1 d . . .
O3 O 0.1270(5) 0.4945(5) 0.8142(4) 0.0418(10) Uani 1 1 d . . .
O4 O -0.0735(4) 0.5857(4) 0.6447(4) 0.0365(9) Uani 1 1 d . . .
O5 O 0.0524(5) 0.8131(5) 0.4950(4) 0.0455(11) Uani 1 1 d . . .
O6 O 0.3049(5) 0.7508(4) 0.4403(4) 0.0373(10) Uani 1 1 d . . .
N1 N 0.3763(5) 0.5306(5) 0.6513(4) 0.0295(10) Uani 1 1 d . . .
N2 N 0.0824(5) 0.5628(4) 0.6962(4) 0.0260(9) Uani 1 1 d . . .
N3 N 0.1867(5) 0.7301(5) 0.5151(4) 0.0278(9) Uani 1 1 d . . .
C1 C 0.2141(6) 0.6145(5) 0.6214(5) 0.0244(10) Uani 1 1 d . . .
Na1 Na 0.7350(5) 0.8883(5) 0.6249(5) 0.1017(14) Uani 1 1 d . . .

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huanghs50

Ìú³æ (СÓÐÃûÆø)

ÒýÓûØÌû:
3Â¥: Originally posted by ljmmarise at 2013-05-11 18:45:38
O1 O 0.5121(5) 0.6054(5) 0.6588(5) 0.0519(12) Uani 1 1 d . . .
O2 O 0.3717(5) 0.3834(5) 0.6676(5) 0.0517(12) Uani 1 1 d . . .
O3 O 0.1270(5) 0.4945(5) 0.8142(4) 0.0418(10) Uani 1 1 d . . .
O4 O ...

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huanghs50

Ìú³æ (СÓÐÃûÆø)

ÒýÓûØÌû:
3Â¥: Originally posted by ljmmarise at 2013-05-11 18:45:38
O1 O 0.5121(5) 0.6054(5) 0.6588(5) 0.0519(12) Uani 1 1 d . . .
O2 O 0.3717(5) 0.3834(5) 0.6676(5) 0.0517(12) Uani 1 1 d . . .
O3 O 0.1270(5) 0.4945(5) 0.8142(4) 0.0418(10) Uani 1 1 d . . .
O4 O ...

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updayday: ½ð±Ò+5, ¸ÐлÄúµÄÈÈÐÄÓ¦Öú 2013-05-16 03:01:31
ÒýÓûØÌû:
5Â¥: Originally posted by huanghs50 at 2013-05-11 21:39:29
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huanghs50

Ìú³æ (СÓÐÃûÆø)

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ÒýÓûØÌû:
6Â¥: Originally posted by ljmmarise at 2013-05-11 23:21:07
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