Addala Abderezak, Setifi Zouaoui, Morimoto Yukio, Artetxe Beñat, Matsumoto Takashi, Gutiérrez-Zorrilla Juan M, Glidewell Christopher
Laboratoire de Chimie, Ingénierie Moléculaire et Nanostructures (LCIMN), Université Ferhat Abbas Sétif 1, Sétif 19000, Algeria.
Département de Technologie, Faculté de Technologie, Université 20 Août 1955-Skikda, BP 26, Route d'El-Hadaiek, Skikda 21000, Algeria.
Acta Crystallogr E Crystallogr Commun. 2018 Nov 6;74(Pt 12):1717-1726. doi: 10.1107/S2056989018015426. eCollection 2018 Dec 1.
Structures are reported for six closely related salts of tris-(bipyrid-yl)iron(II) cations, namely tris-(2,2'-bi-pyridine)-iron(II) bis-(1,1,3,3-tetra-cyano-2-meth-oxy-propenide) 0.776-hydrate, Fe(CHN).0.776HO, (I), tris-(2,2'-bi-pyridine)-iron(II) 1,1,3,3-tetra-cyano-2-(propyl-sulfan-yl)propenide perchlor-ate, Fe(CHN)(ClO), (II), tris-(5,5'-dimethyl-2,2'-bi-pyridine)-iron(II) 1,1,3,3-tetra-cyano-2-meth-oxy-propenide tetra-fluorido-borate ethanol 0.926-solvate, Fe(CHN)(BF).0.926CHO, (III), tris-(5,5'-dimethyl-2,2'-bi-pyridine)-iron(II) 1,1,3,3-tetra-cyano-2-eth-oxy-propenide tetra-fluorido-borate, Fe(CHN)(BF), (IV), tris-(5,5'-dimethyl-2,2'-bi-pyridine)-iron(II) 1,1,3,3-tetra-cyano-2-(ethyl-sufanyl)propenide tetra-fluorido-borate, Fe(CHN)(BF), (V), and tris-(5,5'-dimethyl-2,2'-bi-pyri-dine)-iron(II) 1,1,3,3-tetra-cyano-2-prop-oxypropenide tetra-fluorido-borate, Fe(CHN)(BF), (VI). In compound (I), one of the anions is disordered over two sets of atomic sites with equal occupancies while, in the second anion, just one of the C(CN) units is disordered, again over two sets of atomic sites with equal occupancies: the anionic components are linked by multiple C-H⋯N hydrogen bonds to form a three-dimensional framework. In compound (II), the polynitrile anion is disordered over two sets of atomic sites with occupancies in the approximate ratio 3:1, while the perchlorate anion is disordered over three sets of atomic sites: there are C-N⋯π inter-actions between the cations and the polynitrile anion. The polynitrile anion in compound (III) is fully ordered, but the tetra-fluorido-borate anion is disordered over two sets of atomic sites with occupancies 0.671 (4) and 0.329 (4): the cations and the tetra-fluorido-borate anions are linked by C-H⋯F inter-actions to form an inter-rupted chain. Compounds (IV) and (V) are isostructural and all of the ionic components are fully ordered in both of them: the cations and tetra-fluorido-borate anions are linked into (12) chains. The polynitrile anion in compound (VI) is disordered over two sets of atomic sites with approximately equal occupancies, and here the chains formed by the cations and the tetra-fluorido-borate anions are of the (13) type.
报道了六种与三联吡啶铁（II）阳离子密切相关的盐的结构，即三联（2,2'-联吡啶）铁（II）双（1,1,3,3-四氰基-2-甲氧基丙烯化物）0.776水合物，Fe(CHN).0.776HO，（I）；三联（2,2'-联吡啶）铁（II）1,1,3,3-四氰基-2-（丙硫基）丙烯化物高氯酸盐，Fe(CHN)(ClO)，（II）；三联（5,5'-二甲基-2,2'-联吡啶）铁（II）1,1,3,3-四氰基-2-甲氧基丙烯化物四氟硼酸盐乙醇0.926溶剂化物，Fe(CHN)(BF).0.926CHO，（III）；三联（5,5'-二甲基-2,2'-联吡啶）铁（II）1,1,3,3-四氰基-2-乙氧基丙烯化物四氟硼酸盐，Fe(CHN)(BF)，（IV）；三联（5,5'-二甲基-2,2'-联吡啶）铁（II）1,1,3,3-四氰基-2-（乙硫基）丙烯化物四氟硼酸盐，Fe(CHN)(BF)，（V）；以及三联（5,5'-二甲基-2,2'-联吡啶）铁（II）1,1,3,3-四氰基-2-丙氧基丙烯化物四氟硼酸盐，Fe(CHN)(BF)，（VI）。在化合物（I）中，其中一个阴离子在两组占有率相等的原子位置上无序，而在第二个阴离子中，只有一个C(CN)单元无序，同样在两组占有率相等的原子位置上无序：阴离子组分通过多个C-H⋯N氢键相连形成三维框架。在化合物（II）中，多腈阴离子在两组占有率近似为3:1的原子位置上无序，而高氯酸盐阴离子在三组原子位置上无序：阳离子与多腈阴离子之间存在C-N⋯π相互作用。化合物（III）中的多腈阴离子完全有序，但四氟硼酸盐阴离子在两组占有率分别为0.671 (4)和0.329 (4)的原子位置上无序：阳离子与四氟硼酸盐阴离子通过C-H⋯F相互作用相连形成间断链。化合物（IV）和（V）同构，且它们所有的离子组分都完全有序：阳离子和四氟硼酸盐阴离子连接成(12)链。化合物（VI）中的多腈阴离子在两组占有率近似相等的原子位置上无序，在这里由阳离子和四氟硼酸盐阴离子形成的链为(13)型。
