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★声明:本文仅代表个人观点,笔者学识有限,资料整理过程中难免存在疏漏谬误,请不吝指正。 晶体数据审稿意见-请检查并确认测试温度 审稿意见: The crystallographic data tablesindicate that data for one compound was collected at 293(2) K, while the otherwas collected at 273(2) K, which should be double-checked. 大意: 晶体数据表显示,一个化合物的数据在293(2) K温度下收集,而另一个化合物的数据在273(2) K温度下收集,这应当仔细检查。 该审稿意见不算什么大问题,只是在一篇论文中报道的多个晶体数据,测试温度不一致,审稿人带着疑问顺带一提罢了,只要数据实事求是,不弄虚作假即可,确认符合实际情况后,如果需要修改,那就修改后重新精修生成新的CIF [1]文件,并更新CCDC [2]数据库中的CIF文件(参阅视频“如何更新已申请CCDC号的晶体数据:https://www.bilibili.com/video/BV1Pm4y1R7kv”),然后正常答复即可,如果不需要修改,那也正常答复即可。 相关视频: 晶体数据审稿意见-请检查并确认测试温度:https://www.bilibili.com/video/BV1KZQBBUEZV 参考文献 [1] (a)Hall, S. R.; Allen, F. H. Brown, I. D. The Crystallographic Information File(CIF): A New Standard Archive File for Crystallography. Acta Cryst. 1991, A47, 655–685. DOI:10.1107/S010876739101067X. (b) Hall, S. R. The STAR File: A New Formatfor Electronic Data Transfer and Archiving. J.Chem. Inf. Comput. Sci. 1991, 31, 326–333. DOI:10.1021/ci00002a020. (c) Hall, S. R.; Spadaccini, N. The STAR File:Detailed Specifications. J. Chem. Inf.Comput. Sci. 1994, 34, 505–508. DOI:10.1021/ci00019a005. [2] (a)Allen, F. H. The Cambridge Structural Database: A Quarter of a Million CrystalStructures and Rising. Acta Cryst. 2002, B58, 380–388. DOI:10.1107/S0108768102003890. (b) Groom, C. R.; Bruno, I. J.; Lightfoot, M.P.; Ward, S. C. The Cambridge Structural Database. Acta Cryst. 2016, B72, 171–179. DOI:10.1107/S2052520616003954. (c) Mitchell, J.; Robertson, J. H.; Raithby,P. R. Cambridge Crystallographic Data Centre (CCDC). Comprehensive Coordination Chemistry III 2021, 413–437. DOI:10.1016/B978-0-12-409547-2.14829-2.
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