Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

μ-Oxido-bis-[(5,10,15,20-tetra-phenyl-porphyrinato-κ⁴ N,N',N'',N''')manganese(III)].

ABSTRACT: In the crystal structure of the title oxido-bridged binuclear complex, [Mn^III(TPP)]₂O (TPP = tetra-phenyl-porphyrinate, C₄₄H₂₈N₄) or [Mn₂(C₄₄H₂₈N₄)₂O], the two penta-coordinate manganese(III) ions are bridged by a single oxido ligand, with an Mn-O distance of 1.7600 (3) Å and an Mn-O-Mn bridging angle of 176.1 (2)°. The bridging O^2- ligand is located on a twofold rotation axis, resulting in point group 2 for the entire complex. The Mn^III atom is displaced out of the 24-atom mean plane of the porphyrine entity by 0.52 Å. C-H⋯π and π-π inter-actions help to stabilize the mol-ecular packing within the crystal structure.

SUBMITTER: Ren W

PROVIDER: S-EPMC9635429 | biostudies-literature | 2022 Sep

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

μ-Oxido-bis-[(5,10,15,20-tetra-phenyl-porphyrinato-κ4 N,N',N'',N''')manganese(III)].

Ren Wanjie W Li Jianfeng J

IUCrData 20220902 Pt 9

In the crystal structure of the title oxido-bridged binuclear complex, [MnIII(TPP)]2O (TPP = tetra-phenyl-porphyrinate, C44H28N4) or [Mn2(C44H28N4)2O], the two penta-coordinate manganese(III) ions are bridged by a single oxido ligand, with an Mn-O distance of 1.7600 (3) Å and an Mn-O-Mn bridging angle of 176.1 (2)°. The bridging O2- ligand is located on a twofold rotation axis ...[more]

PMID: 36337454

Similar Datasets

Tri-μ-oxido-bis-[(5,10,15,20-tetra-phenyl-porphyrinato-κN)niobium(V)].

Project description:In the title dinuclear Nb(V) compound, [Nb(2)(C(44)H(28)N(4))(2)O(3)], each Nb atom is seven-coordinated with three bridging O atoms and four N atoms from a chelating tetra-phenyl-porphyrinate 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 mol-ecule, the Nb⋯Nb separation is 2.8200 (8) Å, and the dihedral angle between the two porphyrinate mean planes is 5.4 (1)°. Weak inter-molecular C-H⋯π inter-actions are present in the crystal structure.

| S-EPMC3151801 | biostudies-literature

Crystal structure of a polymorph of μ-oxido-bis-[(5,10,15,20-tetra-phenyl-porphyrinato)iron(III)].

Project description:The title compound, [Fe2(C44H28N4O)2O], was obtained as a by-product during the synthesis of FeIII tetra-phenyl-porphyrin perchlorate. It crystallizes as a new polymorphic modification in addition to the ortho-rhom-bic form previously reported [Hoffman et al. (1972 ▸). J. Am. Chem. Soc. 94, 3620-3626; Swepston & Ibers (1985 ▸) Acta Cryst. C41, 671-673; Kooijmann et al. (2007 ▸). Private Communication (refcode 667666). CCDC, Cambridge, England]. In its crystal structure, the two crystallographically independent FeIII cations are coordinated in a square-planar environment by the four N atoms of a tetra-phenyl-porphyrin ligand. The FeIII-tetra-phenyl-porphyrine units are linked by a μ2-oxido ligand into a dimer with an Fe-O-Fe angle close to linearity. The final coordination sphere for each FeIII atom is square-pyramidal with the μ2-oxido ligand in the apical position. The crystal under investigation consisted of two domains in a ratio of 0.691 (3): 0.309 (3).

| S-EPMC6658976 | biostudies-literature

Di-μ-azido-bis-(μ-1,4,7,10,13,16-hexa-oxacyclo-octa-deca-ne)bis-(5,10,15,20-tetra-phenyl-porphyrinato)dicadmium-disodium.

Project description:The asymmetric unit of the title compound, [Cd2Na2(N3)2(C44H28N4)2(C12H24O6)2], consists of one half of the dimeric complex; the tetra-nuclear mol-ecule lies about an inversion centre. The Cd(II) atom is coordinated by the four pyrrole N atoms of the 5,10,15,20-tetra-phenyl-porphyrinate ligand and one N atom of the axial azide ligand in a square-pyramidal geometry. The azide group is also linked to the Na(I) atom, which is surrounded by one 18-crown-6 molecule and additionally bonded to a second 18-crown-6 molecule trans to the azide group. The porphyrin core exhibits a major doming distortion (∼40%) and the crystal structure is stabilized by weak C-H⋯π inter-actions. The mol-ecular structure features weak intra-molecular hydrogen bonds: two O-H⋯O inter-actions within the 18-crown-6 mol-ecule and one C-H(18-crown-6)⋯N(azido) contact.

| S-EPMC3588796 | biostudies-literature

(Nitrato-κO)oxido(5,10,15,20-tetra-phenyl-porphyrinato-κN)molybdenum(V) benzene solvate.

Project description:In the title compound, [Mo(C(44)H(28)N(4))(NO(3))O]·C(6)H(6), the porphyrin ring is centrosymmetric. The Mo atom, oxide ion and nitrate ion are equally disordered over two sites, such that the Mo atom is displaced by 0.366 (1) Å towards the oxide ion from the 24-atom mean plane of the porphyrin, and also makes a long Mo-O bond to a nitrate O atom. A centrosymmetric benzene solvent mol-ecule is situated between adjacent porphyrin mol-ecules.

| S-EPMC2959382 | biostudies-literature

Crystal structure of chlorido-(5,10,15,20-tetra-phenyl-porphyrinato-κ(4) N)manganese(III) 2-amino-pyridine disolvate.

Project description:In the title compound, [Mn(C44H28N4)Cl]·2C5H6N2, the Mn(III) centre is coordinated by four pyrrole N atoms [averaged Mn-N = 2.012 (4) Å] of the tetra-phenyl-porphyrin mol-ecule and one chloride axial ligand [Mn-Cl = 2.4315 (7) Å] in a square-pyramidal geometry. The porphyrin macrocycle exhibits a non-planar conformation with major ruffling and saddling distortions. In the crystal, two independent solvent mol-ecules form dimers through N-H⋯N hydrogen bonding. In these dimers, one amino N atom has a short Mn⋯N contact of 2.642 (1) Å thus completing the Mn environment in the form of a distorted octa-hedron, and another amino atom generates weak N-H⋯Cl hydrogen bonds, which link further all mol-ecules into chains along the a axis.

| S-EPMC4384609 | biostudies-literature

Dichlorido(5,10,15,20-tetra-phenyl-porphyrinato-κ(4)N)anti-mony(V) hemi{di-μ-chlorido-bis-[trichloridoanti-monate(III)]} dichloro-methane monosolvate.

Project description:The asymmetric unit of the title complex, [Sb(C(44)H(28)N(4))Cl(2)][Sb(2)Cl(8)](0.5)·CH(2)Cl(2), is composed of a Sb(V) complex cation wherein the Sb atom is hexa-coordinated by four N atoms of the pyrrole rings of the tetra-phenyl-porphyrinate (TPP) ligands and two chloride ions, a half di-μ-chlorido-bis-[trichloridoanti-monate(III)] counter-anion and a dichloro-methane solvent mol-ecule. In the cation, the average Sb-N distance is 2.066 (2) Å, while the Sb-Cl distances are 2.3410 (11) and 2.3639 (12) Å. The central unit of the cation, SbN(4)C(20), is far from being planar, with deviations of atoms from the least-squares plane ranging from -0.110 (4) to 0.124 (4) Å. The Sb-Cl distances in the anion, which is located about an inversion center, lie in the wide range 2.3715 (13)-2.7489 (13) Å, the longest distances being between the Sb and bridging Cl atoms. The crystal structure is stabilized by inter-molecular C-H⋯Cl inter-actions involving the cations, the anions and the solvent mol-ecules. The solvent mol-ecule is disordered over two orientations in a 0.901 (13):0.099 (13) ratio.

| S-EPMC3379064 | biostudies-literature

(5,10,15,20-Tetra-phenyl-porphyrinato-κ(4) N)zinc-18-crown-6 (1/1).

Project description:In the title compound, [Zn(C44H28N4)]·C12H24O6, the Zn(II) ion lies on an inversion center and the asymmetric unit contains one half of a Zn(TPP) complex (TPP = 5,10,15,20-tetra-phenyl-porphyrin dianion) and one half of a centrosymmetric 18-crown-6 mol-ecule. The Zn(TPP) complex exhibits a nearly planar conformation of the porphyrin core [maximum deviation = 0.106 (2) Å] with an average Zn-N distance of 2.047 (2) Å. The title compound is considered as a one-dimensional polymer along [010], in which the Zn(TPP) moiety is linked to the closest O atoms of two symmetry-related 18-crown-6 mol-ecules with a Zn-O distance of 2.582 (1) Å, completing a distorted octahedral coordination environment of the metal ion. The chains are mainly sustained by weak C-H⋯π inter-actions. An ethyl-ene group of the 18-crown-6 mol-ecule is disordered over three sites with occupancies of 0.50, 0.25 and 0.25.

| S-EPMC3793685 | biostudies-literature

Diaqua-(5,10,15,20-tetra-phenyl-porphyrinato-κ(4)N)magnesium-18-crown-6 (1/1).

Project description:In the title compound, [Mg(C(44)H(28)N(4))(H(2)O)(2)]·C(12)H(24)O(6), the Mg(II) cation lies on an inversion center and is octa-hedrally coordinated by the four N atoms of the deprotonated tetra-phenyl-porphyrin (TPP) ligand and by two water mol-ecules. The asymmetric unit contains one half of the [Mg(TPP)(H(2)O)(2)] complex and one half of an 18-crown-6 mol-ecule. The average equatorial magnesium-pyrrole N atom distance (Mg-N(p)) is 2.071 (1) Å and the axial Mg-O(H(2)O) bond length is 2.213 (1) Å. The crystal packing is stabilized by two O-H⋯O hydrogen bonds between coordinating water mol-ecules and adjacent 18-crown-6 mol-ecules, and exhibits a one-dimensional supramolecular structure along the a axis. The supramolecular architecture is futher stabilized by weak C-H⋯π inter-actions. The 18-crown-6 mol-ecule is disordered over two sets of sites with an occupancy ratio of 0.8:0.2.

| S-EPMC3569206 | biostudies-literature

Aqua-(4-cyano-pyridine-κN (4))(5,10,15,20-tetra-phenyl-porphyrinato-κ(4) N)magnesium.

Project description:In the title complex, [Mg(C44H28N4)(C6H4N2)(H2O)], the Mg(2+) cation is octa-hedrally coordinated and lies on an inversion center with the axially located 4-cyano-pyridine and aqua ligands exhibiting 50% substitutional disorder. The cyano-bound 4-cyano-pyridine mol-ecule also is disordered across the inversion centre. The four N atoms of the pyrrole rings of the dianionic 5,10,15,20-tetra-phenyl-porphyrin ligand occupy the equatorial sites of the octa-hedron [Mg-N = 2.0552 (10) and 2.0678 (11) Å] and the axial Mg-(N,O) bond length is 2.3798 (12) Å. The crystal packing is stabilized by weak inter-molecular C-H⋯π inter-actions.

| S-EPMC3588276 | biostudies-literature

Crystal structure of bis-(1-ethyl-1H-imidazole-κN3)(5,10,15,20-tetra-phenyl-porphyrinato-κ4N)iron(II) tetra-hydro-furan monosolvate.

Project description:The title complex, [Fe(C44H28N4)(C5H8N2)2]·C4H8O, possesses inversion symmetry with the iron(II) atom located on a center of symmetry. The metal atom is coordinated in a symmetric octa-hedral geometry by four pyrrole N atoms of the porphyrin ligand in the equatorial plane and two N atoms of 1-ethyl-imidazole ligands in the axial sites; the complex crystallizes with a tetra-hydro-furan solvent mol-ecule. The average Fe-Np (Np is a porphyrin N atom) bond length is 1.995 (3) Å and the axial Fe-NIm (NIm is an imidazole N atom) bond length is 1.994 (2) Å. The two 1-ethyl-imidazole ligands are mutually parallel. The dihedral angle between the 1-ethyl-imidazole plane and the plane of the closest Fe-Np vector is 24.5°. In the crystal, the only significant inter-molecular inter-actions present are C-H⋯π inter-actions.

| S-EPMC6002823 | biostudies-literature