The title compound, [Fe(C(44)H(24)N(8)Cl(4))(CN)(2)][K(2)(C(18)H(36)N(2)O(6))(2)]·2C(4)H(8)O was synthesized and characterized by single-crystal X-ray diffraction as well as FTIR and UV-vis spectroscopy. The central Fe(II) 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 0.619â (5) and 0.381â (5). It has a distorted porphyrin core with mean absolute core-atom displacements C(a), C(b), C(m) and C(av) of 0.32â (3), 0.22â (3), 0.56â (2) and 0.37â (14)â à , respectively. The axial Fe-C(cyano) bond lengths are 1.991â (2) and 1.988â (2)â à . The average Fe-N(p) (N(p) is a porphyrin N atom) bond length is 1.964â (10)â à . 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 0.739â (6):0.261â (6) and 0.832â (4):0.168â (4). Additional solvent mol-ecules were found to be highly disordered and their contribution to the scattering was removed using the SQUEEZE procedure in PLATON [Spek (2015 â¸). Acta Cryst. C71, 9-18], which indicated a solvent cavity of volume 372â à (3) containing approximately 83 electrons. These solvent mol-ecules are not considered in the given chemical formula and other crystal data.
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.
阅读:3
作者:Huang Tingting, Wang Haimang, Zhao Jianping
| 期刊: | Acta Crystallographica Section E: Crystallographic Communications | 影响因子: | 0.500 |
| 时间: | 2019 | 起止号: | 2019 Nov 26; 75(Pt 12):1914-1918 |
| doi: | 10.1107/S2056989019014841 | ||
特别声明
1、本页面内容包含部分的内容是基于公开信息的合理引用;引用内容仅为补充信息,不代表本站立场。
2、若认为本页面引用内容涉及侵权,请及时与本站联系,我们将第一时间处理。
3、其他媒体/个人如需使用本页面原创内容,需注明“来源:[生知库]”并获得授权;使用引用内容的,需自行联系原作者获得许可。
4、投稿及合作请联系:info@biocloudy.com。
