MOF晶体解析后分子式出现了小数,无法变成整数,请问应该取整数还是保留小数
Your assessment must be backed up relevant independent data such as TGA. Please note that your final reported sum formula must contain all entities present in your crystal, including those that have been solvent-masked.
单晶得到的Empirical formula有小数,晶体的Empirical formula为C16.18 H8.54 O8 S3.59 Lu,无法通过改变Z值化整,这个应该怎么处理呢?审稿人的要求是根据热重算出最终的分子式(包含未配位的溶剂分子),但从现在的Empirical formula没法得到骨架中金属,配体,溶剂分子合理的具体个数
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