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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。 晶体结构中单配位金属案例1 案例来源：CCDC [1]: 2496753. Angew.Chem. Int. Ed. 2026, e23125. DOI [2]: 10.1002/anie.202523125. 如图1所示（反应式由ChemBioDraw [3]绘制，晶体结构由Olex2 [4]绘制），作者利用(InTer)2 [5]（CCDC: 191190; Ter = 2,6-Dipp2-C6H3;Dipp = 2,6-diisopropylphenyl）与1-金刚烷基膦杂乙炔（Ad-C≡P; 1-Adamantylphosphaethyne;CAS: 101055-70-3; Ad = Adamantyl）在甲苯（Toluene, CAS: 108-88-3）中于零下78摄氏度反应，分离得到单配位铟化合物In[C(Ad)=PTer]（CCDC:2496753）。 ▲图1 单配位铟化合物In[C(Ad)=PTer]合成及其结构 对于单配位金属化合物，CheckCIF [6]会给出PLAT308警报（参阅推文“CheckCIF-PLAT308”），不过本案例中为G级警报，如图2红色方框所示。 ▲图2 G级警报PLAT308 PLAT308警报官方释义如下： PLAT308 Type_2 Test for single bonded Metal Atoms This test reports on single bonded (coordinated) metalatoms/ions. This represents a very unusual situation. There are literatureexamples where such a 'single bonded metal' was shown to be a halogen. 大意如下： 此检查报告单键（配位的）金属原子/离子。这是一个极不寻常的情况。有一个例子是某文献报道的这种“单键金属”后被证明其实是卤素。 正因为单配位金属是极为罕见的情况，在以前有文献报道单配位金属晶体结构，后来被证明是原子定错，该金属实际上是卤素，所以CheckCIF有一条警报PLAT308专门用于检测晶体结构的此类情况。 当然，科学是不断发展的，很多之前不可能分离得到的结构，随着技术的进步，时间的推移，到后来总能分离和表征，正如本文所诉案例，其标题“A Crystalline Mono-CoordinateIndium(I)-Phosphaalkenyl”中关键词“Mono-Coordinate”（单配位）正是强调了这一点。 随着越来越多的单配位金属的报道，也许以后就不再有PLAT308警报了。 如需论文PDF和晶体数据CIF [7]文件，可从以下链接下载： 提取码: n1sq 相关视频： 晶体结构中单配位金属案例1：https://www.bilibili.com/video/BV1gGcuzFEvK 参考文献 [1] (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). 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