Dalecky Lauren M, Juillerat Christian A, Cody Jason A
Department of Chemistry, Lake Forest College, 555 N. Sheridan Rd., Lake Forest, IL 60045, USA.
IUCrdata. 2020 Apr 24;5(Pt 4):x200312. doi: 10.1107/S2414314620003120. eCollection 2020 Apr.
The title salt, (PMIM)[Ni(PS)] (PMIM = 3-methyl-1-propyl-1-imidazol-3-ium, CHN ), consists of a nickel-thio-phosphate anion charge-balanced by a pair of crystallographically independent PMIM cations. It crystallizes in the monoclinic space group 2/. The structure exhibits the known [Ni(PS)] anion with two unique imidazolium cations in the asymmetric unit. Whereas one PMIM cation is well ordered, the other is disordered over two orientations with refined occupancies of 0.798 (2) and 0.202 (2). The salt was prepared directly from the elements in the ionic liquid [PMIM]CFSO. Whereas one of the PMIM cations is well behaved (it does not exhibit disorder even in the propyl side chain), the other is found in two overlapping positions. The refined occupancies for the two orientations are roughly 80:20. Here, too, there appears to be little disorder in the propyl arm.
标题盐(PMIM)[Ni(PS)]（PMIM = 3-甲基-1-丙基-1-咪唑-3-鎓，CHN）由一对晶体学独立的PMIM阳离子电荷平衡的镍硫代磷酸根阴离子组成。它结晶于单斜空间群2/。该结构在不对称单元中呈现出已知的[Ni(PS)]阴离子和两个独特的咪唑鎓阳离子。其中一个PMIM阳离子排列有序，另一个在两个取向上无序，精修占有率分别为0.798 (2)和0.202 (2)。该盐是直接由离子液体[PMIM]CFSO中的元素制备而成。其中一个PMIM阳离子表现良好（即使在丙基侧链也不显示无序），另一个处于两个重叠位置。两个取向的精修占有率约为80:20。在这里，丙基臂似乎也几乎没有无序。
