Chlorido{5,10,15,20-tetra­kis­[2-(2,2-dimethyl­propanamido)­phen­yl]porphyrinato-κ4 N,N′,N′′,N′′′}iron(III) chloro­benzene hemisolvate monohydrate

In the title complex, [Fe(C64H64N8O4)Cl]·0.5C6H5Cl·H2O, the equatorial iron–pyrrole N atom distance (Fe—Np) is 2.065 (2) Å and the axial Fe—Cl distance is 2.207 (2) Å. The iron cation is displaced by 0.420 (4) Å from the 24-atom mean plane of the porphyrin core. The asymmetric unit contains a quarter of an [FeIII(C64H64N8O4)Cl] complex mol­ecule, with a fourfold rotation axis passing through the central metal cation and the Cl ligand, along with disordered mol­ecules of chloro­benzene and water of solvation; the solvent mol­ecules were excluded from the refinement

Tri-μ-oxido-bis­[(5,10,15,20-tetra­phenyl­porphyrinato-κ4 N)niobium(V)]

In the title dinuclear NbV compound, [Nb2(C44H28N4)2O3], each Nb atom is seven-coordinated with three bridging O atoms and four N atoms from a chelating tetra­phenyl­porphyrinate anion. The Nb—O bond lengths range from 1.757 (6) to 2.331 (6) Å, and the average (niobium–pyrrole N atom) distance is 2.239 Å. In the dinuclear mol­ecule, the Nb⋯Nb separation is 2.8200 (8) Å, and the dihedral angle between the two porphyrinate mean planes is 5.4 (1)°. Weak inter­molecular C—H⋯π inter­actions are present in the crystal structure

(5,10,15,20-Tetra­phenyl­porphyrinato-κ4 N)cobalt(II)–18-crown-6 (1/1)

The asymmetric unit of the title compound, [Co(C44H28N4)]·C12H24O6, contains one half of a CoII(TPP) (TPP is tetra­phenyl­porphyrin) complex and one half of an 18-crown-6 mol­ecule of crystallization, both lying on inversion centers. The CoII(TPP) complex exhibits a nearly planar conformation of the porphyrinate core [maximum deviation = 0.069 (2) Å] with an average Co—N distance of 1.971 (4) Å. The distance between the Co atom and the closest O atom of the 18-crown-6 mol­ecule is 2.533 (2) Å, indicating a short non-bonded contact between the Co atom and the crown ether mol­ecule. An ethyl­ene group of the 18-crown-6 mol­ecule is disordered over two sites with occupancies of 0.565 (7) and 0.435 (7)

Substitutional disorder in bis­[(cyanato-κO)/hydroxido(0.5/0.5)](5,10,15,20-tetra­phenyl­porphyrinato-κ4 N)tin(IV)

The title complex, [SnIV(C44H28N4)(CNO)(OH)], exhibits substitutional disorder of the OH− and OCN− axial ligands. Thus, the cyanato-O ligand and the hydroxyl group bonded to the central SnIV atom share statistically the axial position. The SnIV ion is hexa­coordinated by the four N atoms of the pyrrole rings of the tetra­phenyl­porphyrin (TPP) and the O atoms of the two disordered OCN− and OH− axial ligands. The equatorial tin–pyrrole N atom distance (Sn—Np) is 2.100 (2) Å and the axial Sn—O(OCN) or Sn—O(OH) bond length is 2.074 (2) Å

(Cryptand-222)potassium(+) (hydrogensulfido)[5,10,15,20-tetra­kis(2-pival­amido­phen­yl)porphyrinato]ferrate(II)

As part of a systematic investigation for a number of FeII porphyrin complexes used as biomimetic models for cytochrome P450, crystals of the title compound, [K(C18H36N2O6)][FeII(C64H64N8O4)(HS)], were prepared. The compound exhibits a non-planar conformation with major ruffling and saddling distortions. The average equatorial iron–pyrrole N atom [Fe—Np = 2.102 (2) Å] bond length and the distance between the FeII atom and the 24-atom core of the porphyrin ring (Fe—PC= 0.558 Å) are typical for high-spin iron(II) penta­coordinate porphyrinates. One of the tert-butyl groups in the structure is disordered over two sets with occupancies of 0.84 and 0.16

3,3′-Bis(chloromethyl)-4,4′-diethoxy-1,1′-biphenyl

The asymmetric unit of the title compound, C18H20Cl2O2, consists of a half-molecule, the other half being generated by an inversion center, located at the mid-point of the benzene–benzene bond. Except for the two Cl atoms, all other atoms of the compound are nearly coplanar, with the atomic displacements from the molecular mean plane ranging from 0.0037 (19) to 0.071 (2) Å. The two Cl atoms are in trans positions and are displaced with respect to the mean plane by 1.687 (2) and −1.693 (3) Å. The crystal packing is governed by van der Waals interactions

Hexakis(dimethyl sulfoxide-κO)zinc mer-aquatris(dimethyl sulfoxide-κO)(ethanol-κO)[octadecatungstodiphosphato(V)-κO]zincate(II)–dimethyl sulfoxide–ethanol–water (2/4/2/3)

In the title compound, [Zn(C2H6OS)6]2[Zn(α-P2W18O62)(C2H5OH)(C2H6OS)3(H2O)]·2C2H6OS·C2H5OH·1.5H2O, there are two types of ZnII complex ions. In the [Zn(α-P2W18O62)(C2H5OH)(C2H6OS)3(H2O)]4− anion, the ZnII cation is coordinated by a Wells–Dawson polyanion [α-P2W18O62]6− (POM) via a terminal O atom, three dimethyl sulfoxide (DMSO) ligands, one ethanol ligand and one water ligand in a distorted octahedral geometry. The two independent [Zn(C2H6OS)6]2+ cations exhibit similar distorted octahedral coordination spheres, and both ZnII cations are coordinated by six DMSO ligands. The crystal packing is governed by extensive O—H...O hydrogen bonds and weak C—H...O hydrogen bonds, forming a three-dimensional supramolecular structure. The S atoms of some DMSO molecules are disordered over two positions with different site-occupancy ratios