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【求助】求救cif错误
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杂志编辑回信如下，有哪位巨巨详细解答。不胜感谢！ The structure contains a water molecule coordinated to the copper that is not mentioned in the title or the text. The hydrogen atoms of this water molecule are not included in the structure determination. The coordination geometry of the copper atoms are not described. The fact that the structure is isomorphous with the chloro complex (Yang et al, 2004) has not been noted. A more detailed comparison of the two structures are warranted. Additional comments on the structure are as follows In the experimental, the amounts of reagents in mgs should be provided as well as mmol. As this structure is isomorphous with the chloride complex, confirmation of structure should be provided though CHN chemical analysis, spectroscopic data. The typediffractometer used in the data collection should be provided. The number of measured reflections (2854) seems to be unusually low for a CCD area detector. No references has been provided for the absorption correction software |
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2楼2010-02-18 09:47:54
fmopily
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The structure contains a water molecule coordinated to the copper that is not mentioned in the title or the text. The hydrogen atoms of this water molecule are not included in the structure determination. 结构中有一个与铜配位的水分子，然而论文题目及正文中均未提及。该水分子上未加氢。 The coordination geometry of the copper atoms are not described. 要对铜的原子的配位构型进行描述。 The fact that the structure is isomorphous with the chloro complex (Yang et al, 2004) has not been noted. A more detailed comparison of the two structures are warranted. 该化合物与氯配合物 (Yang et al, 2004)同构，而文中没有提及，应对两个化合物进行较详细的比较。 Additional comments on the structure are as follows In the experimental, the amounts of reagents in mgs should be provided as well as mmol. As this structure is isomorphous with the chloride complex, confirmation of structure should be provided though CHN chemical analysis, spectroscopic data. 另外 实验中试剂用量除用mg外还需用mmol表示。由于该化合物与氯配合物 (Yang et al, 2004)同构，所以应用元素分析（ CHN ）及波谱对其进行表征 The typediffractometer used in the data collection should be provided. 请提供数据收集时使用的衍射仪型号。 The number of measured reflections (2854) seems to be unusually low for a CCD area detector. 衍射点数目 (2854)太低 No references has been provided for the absorption correction software 对所用的吸收校正提供参考文献。 |
3楼2010-02-18 11:33:00