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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-hexa­oxa-1,10-di­aza­bicyclo­[8.8.8]hexacosa­ne)-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-tetra­kis­(4-chloro­phen­yl)porphyrinato-2κ(4) N]-2-iron(II)-1,3-dipotassium(I) tetra­hydro­furan disolvate with an unknown solvent

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 at...

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Detalles Bibliográficos
Autores principales: Huang, Tingting, Wang, Haimang, Zhao, Jianping
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2019
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6895954/
https://www.ncbi.nlm.nih.gov/pubmed/31871757
http://dx.doi.org/10.1107/S2056989019014841
Descripción
Sumario: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 octa­hedral coordination environment. The complex mol­ecule crystallizes with two tetra­hydro­furan solvent mol­ecules, 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(a), C(b), C(m) and C(av) of 0.32 (3), 0.22 (3), 0.56 (2) and 0.37 (14) Å, respectively. The axial Fe—C(cyano) bond lengths are 1.991 (2) and 1.988 (2) Å. The average Fe—N(p) (N(p) 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-hexa­oxa-1,10-di­aza­bicyclo­[8.8.8]hexa­cosa­ne] 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 mol­ecules were found to be highly disordered and their contribution to the scattering was removed using the SQUEEZE procedure in PLATON [Spek (2015 ▸). Acta Cryst. C71, 9–18], which indicated a solvent cavity of volume 372 Å(3) containing approximately 83 electrons. These solvent mol­ecules are not considered in the given chemical formula and other crystal data.