Hiiuk Volodymyr M, Mykhailovych Vasyl, Shova Sergiu, Golenya Irina A, Gural'skiy Il'ya A
Department of Chemistry, Taras Shevchenko National University of Kyiv, 64 Volodymyrska St, 01601 Kyiv, Ukraine.
UkrOrgSyntez Ltd, 67 Chervonotkatska St, 02094 Kyiv, Ukraine.
Acta Crystallogr E Crystallogr Commun. 2022 Jan 25;78(Pt 2):216-219. doi: 10.1107/S2056989022000573. eCollection 2022 Jan 1.
In the title polymeric coordination compound, {[FePt(CN)(HO)]·1.33CHOH} , the Fe cation (site symmetry 4/) is coordinated by the N atoms of four cyanide anions (CN) and the O atoms of two water mol-ecules, forming a nearly regular [FeNO] octa-hedron. According the Fe-N and Fe-O bond lengths, the Fe atom is in the high-spin state. The cyanide anions act in a bridging manner to connect the Fe and Pt atoms. The [Pt(CN)] moieties (Pt with site symmetry 4/) have a perfect square-planar shape. The latter anion is located perpendicular to the FeN plane, thus ensuring the creation of a three-dimensional framework. The crystal structure features methanol solvent mol-ecules of which 4/3 were located per Fe cation. These solvent mol-ecules are located in hexa-gonal pores; they inter-act with coordinating water mol-ecules through weak hydrogen bonds. Other guest mol-ecules could not be modelled in a satisfactory way and their contribution to the scattering was removed by a mask procedure.
在标题聚合物配位化合物{[FePt(CN)(H₂O)]·1.33CH₃OH}中,Fe阳离子(位点对称性4/m)由四个氰根阴离子(CN⁻)的N原子和两个水分子的O原子配位,形成一个近乎规则的[FeNO₆]八面体。根据Fe-N和Fe-O键长,Fe原子处于高自旋态。氰根阴离子以桥连方式连接Fe和Pt原子。[Pt(CN)₄]部分(Pt位点对称性4/m)具有完美的平面正方形形状。后一种阴离子垂直于FeN平面定位,从而确保形成三维框架。晶体结构的特征是每个Fe阳离子有4/3个甲醇溶剂分子。这些溶剂分子位于六边形孔中;它们通过弱氢键与配位水分子相互作用。其他客体分子无法以令人满意的方式建模,其对散射的贡献通过掩蔽程序去除。