Synthesis, crystal structure and characterizations of di-μ-cyanido-1:2κ 2 N : C ;2:3κ 2 C : N -bis-(4,7,13,16,21,24-hexa-oxa-1,10-di-aza-bicyclo-[8.8.8]hexacosa-ne)-1κ 8 N 1 , N 10 , O 4 , O 7 , O 13 , O 16 , O 21 , O 24 ;3κ 8 N 1 , N 10 , O 4 , O 7 , O 13 , O 16 , O 21 , O 24 -[5,10,15,20-tetra-kis-(4-chloro-phen-yl)porphyrinato-2κ 4 N ]-2-iron(II)-1,3-dipotassium(I) tetra-hydro-furan disolvate with an unknown solvent.

Acta crystallographica. Section E, Crystallographic communications(2019)

引用 0|浏览7
暂无评分
摘要
The title compound, [Fe(CHNCl)(CN)][K(CHNO)]·2CHO was synthesized and characterized by single-crystal X-ray diffraction as well as FTIR and UV-vis spectroscopy. The central Fe ion is coordinated by four pyrrole N atoms of the porphyrin core and two C atoms of the cyano groups in a slightly distorted octa-hedral coordination environment. The complex mol-ecule crystallizes with two tetra-hydro-furan solvent mol-ecules, one of which was refined as disordered over two sets of sites with refined occupancies of 0.619 (5) and 0.381 (5). It has a distorted porphyrin core with mean absolute core-atom displacements C, C, C and C of 0.32 (3), 0.22 (3), 0.56 (2) and 0.37 (14) Å, respectively. The axial Fe-C bond lengths are 1.991 (2) and 1.988 (2) Å. The average Fe-N (N is a porphyrin N atom) bond length is 1.964 (10) Å. One of the O atoms and several C atoms of the 222 moiety [222 = 4,7,13,16,21,24-hexa-oxa-1,10-di-aza-bicyclo-[8.8.8]hexa-cosa-ne] were refined as disordered over two sets of sites with occupancy ratios of 0.739 (6):0.261 (6) and 0.832 (4):0.168 (4). Additional solvent mol-ecules were found to be highly disordered and their contribution to the scattering was removed using the SQUEEZE procedure in [Spek (2015 ▸). . C, 9-18], which indicated a solvent cavity of volume 372 Å containing approximately 83 electrons. These solvent mol-ecules are not considered in the given chemical formula and other crystal data.
更多
查看译文
关键词
FTIR,UV,crystal structure,cyanide,iron(II),porphyrin
AI 理解论文
溯源树
样例
生成溯源树,研究论文发展脉络
Chat Paper
正在生成论文摘要