Synthesis, crystal structure and characterizations of di-μ-cyanido-1:2κ2 N:C;2:3κ2 C:N-bis-(4,7,13,16,21,24-hexa-oxa-1,10-di-aza-bicyclo-[8.8.8]hexacosa-ne)-1κ8 N 1,N 10,O 4,O 7,O 13,O 16,O 21,O 24;3κ8 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-2κ4 N]-2-iron(II)-1,3-dipotassium(I) tetra-hydro-furan disolvate with an unknown solvent.

The title compound, [Fe(C44H24N8Cl4)(CN)2][K2(C18H36N2O6)2]·2C4H8O was synthesized and characterized by single-crystal X-ray diffraction as well as FTIR and UV-vis spectroscopy. The central FeII 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 Ca, Cb, Cm and Cav of 0.32 (3), 0.22 (3), 0.56 (2) and 0.37 (14) Å, respectively. The axial Fe-Ccyano bond lengths are 1.991 (2) and 1.988 (2) Å. The average Fe-Np (Np 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 PLATON [Spek (2015 ▸). Acta Cryst. C71, 9-18], which indicated a solvent cavity of volume 372 Å3 containing approximately 83 electrons. These solvent mol-ecules are not considered in the given chemical formula and other crystal data. © Huang et al. 2019.