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zhjie6688木虫 (正式写手)
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[求助]
单晶问题 已有1人参与
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各位大侠好！文章修改意见回来了，文章修改意见回来了，牵扯以下单晶问题，不知道怎么回答，十万火急，求解答。非常感谢!问题如下： 1.Give standard literature references for SMART, SAINT, SADABS and SHELXTL...in fact, these procedures were only used for the structure of the organic molecule. A complete and accurate description of the data collection strategy, structure solution and refinement for the complexes must be included, and properly referenced. 2.While generally, the crystallographic experiments have been performed poorly and not up to contemporary International standards, that of 3c is extremely poor. Some explanation to justify its inclusion in the paper is required or the entire structure should be removed. I believe the refinement is incorrect as the unit cell contents have not been properly assigned, Z = 4 not Z = 2. 3.Where the residual electron density peaks are greater than 1, e.g. 3a, give their locations in the Experimental section. 4.Figure captions to figures 1, 2 and 3, give the symmetry operation corresponding to "a" in each case. 5. X-ray structure determinations: a reference for SHELXTL should be given. |
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maomao11259
木虫 (小有名气)
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1.Give standard literature references for SMART, SAINT, SADABS and SHELXTL...in fact, these procedures were only used for the structure of the organic molecule. A complete and accurate description of the data collection strategy, structure solution and refinement for the complexes must be included, and properly referenced. 你的cif里数据收集、解析和精修的描述方式不够准确和详细。 |
2楼2014-03-06 22:46:06
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