Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

(Ethanolato)[2,3,7,8,12,13,17,18-octa-ethylporphyrinato(2-)]iron(III).

ABSTRACT: The title compound, [Fe(C(2)H(5)O)(C(36)H(44)N(4))], contains a five-coordinate iron-porphyrin complex with an axial eth-oxy ligand. The iron(III) atom is displaced by 0.504?(2)?Å towards the eth-oxy ligand from the 24-atom mean plane of the porphyrin. The average Fe-N(p) distance is 2.078?(2)?Å and the Fe-O distance is 1.8232?(18)?Å. The eth-oxy C atoms are disordered in a 0.581?(12):0.419?(12) ratio. The bond angles of the Fe-O-C linkage are 128.6?(3) and 130.4?(3)°, respectively, for the major and minor occupancy C atoms.

SUBMITTER: Cheng L

PROVIDER: S-EPMC3009112 | biostudies-literature | 2010 Oct

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

(Ethanolato)[2,3,7,8,12,13,17,18-octa-ethylporphyrinato(2-)]iron(III).

Cheng Lin L Xu Nan N Powell Douglas R DR Richter-Addo George B GB

Acta crystallographica. Section E, Structure reports online 20101023 Pt 11

The title compound, [Fe(C(2)H(5)O)(C(36)H(44)N(4))], contains a five-coordinate iron-porphyrin complex with an axial eth-oxy ligand. The iron(III) atom is displaced by 0.504 (2) Å towards the eth-oxy ligand from the 24-atom mean plane of the porphyrin. The average Fe-N(p) distance is 2.078 (2) Å and the Fe-O distance is 1.8232 (18) Å. The eth-oxy C atoms are disordered in a 0.581 (12):0.419 (12) ratio. The bond angles of the Fe-O-C linkage are 128.6 (3) and 130.4 (3)°, respectively, for the majo ...[more]

PMID: 21588876

Similar Datasets

Chlorido(2,3,7,8,12,13,17,18-octa-ethyl-porphyrinato)iron(III) dichloro-methane sesquisolvate.

Project description:The title mol-ecule, [Fe(C(36)H(44)N(4))Cl]·1.5CH(2)Cl(2), is a high-spin square-pyramidal iron(III) porphyrinate with an average value for the equatorial Fe-N bond lengths of 2.065?(3)?Å and an axial Fe-Cl distance of 2.2430?(13)?Å. The iron cation is displaced by 0.518?(1)?Å from the 24-atom mean plane of the porphyrin ring. These values are typical for high-spin iron(III) porphyrinates.

| S-EPMC3006760 | biostudies-literature

(2,3,7,8,12,13,17,18-Octa-ethyl-por-phin-ato)(trifluoro-methane-sulfonato)iron(III).

Project description:The title compound, [Fe(CF(3)O(3)S)(C(36)H(44)N(4))], is an iron(III) porphyrin complex with the trifluoro-methane-sulfonate anion as an axial ligand. The Fe atom is displaced by 0.219 (2) Å toward the trifluoro-methane-sulfonate anion from the 24-atom mean plane of the porphyrin, resulting in a distorted FeN(4)O square-based pyramidal geometry. One ethyl-ene group is disordered over two orientations in a 0.502 (6):0.498 (6) ratio.

| S-EPMC2959619 | biostudies-literature

(2,3,7,8,12,13,17,18-Octa-ethyl-5-phenyl-porphyrinato)platinum(II).

Project description:The title compound, [Pt(C(42)H(48)N(4))], was obtained through metallation of the corresponding free base with PtCl(2), followed by crystallization from methyl-ene chloride/methanol. The mol-ecule exhibits an almost planar macrocycle with an average deviation of the 24 macrocyclic atoms from their least-squares plane (?24) of 0.04?Å and an average Pt-N bond length of 2.022?Å. Despite the unsymmetrical substitution pattern, there is no significant difference between distortion of the geometry at the phenyl substituted meso position and those of unsubstituted meso positions.

| S-EPMC3212153 | biostudies-other

(2,3,7,8,12,13,17,18-Octa-ethyl-porphyrinato-κ(4)N)cobalt(II)-2-nitro-benzaldehyde (1/2).

Project description:The asymmetric unit of the title compound, [Co(C(36)H(44)N(4))]·2C(7)H(5)NO(3), is composed of one half of the complex, arranged about an inversion center, and a complete 2-nitro-benzaldehyde (NBA) mol-ecule. The structure consists of columns that contain inter-leaved mol-ecules of NBA and [Co(II)(OEP)] (OEP is 2,3,7,8,12,13,17,18-octa-ethyl-porphyrin), which are stacked along the a axis. The Co(II) atom is involved in a π inter-action with the ring of the NBA mol-ecule with a centroid-metal distance of 3.508 (6) Å. There is an intra-molecular C-H⋯O hydrogen bond in the NBA mol-ecule.

| S-EPMC3435623 | biostudies-literature

μ-Oxido-bis-[bis-(phenanthroline-κN,N')(sulfato-κO)iron(III)] octa-hydrate.

Project description:The title complex, [Fe(2)O(SO(4))(2)(C(12)H(8)N(2))(4)]·8H(2)O, contains two unique Fe(III) cations, one oxide anion, four 1,10-phenanthroline (phen) ligands, two coordinated sulfate anions and eight lattice water mol-ecules. Each Fe(III) ion has an approximate octa-hedral geometry, coordinated by four N atoms from two phen mol-ecules, two O atoms from oxide and sulfate anions, respectively. The parallel phen mol-ecules form two-dimensional supermolecules through π-π stacking inter-actions [centroid-centroid distances = 3.684 (3), 3.711 (3), 3.790 (3), 3.847 (3), 3.746 (3), 3.732 (3) and 3.729 (3) Å]. This architecture is further stabilized by O-H⋯O hydrogen bonds involving the lattice water mol-ecules and sulfate O atoms.

| S-EPMC3246986 | biostudies-literature

Crystal structure of octa-kis-(4-meth-oxy-pyridinium) bis-(4-meth-oxy-pyridine-?N)tetra-kis-(thio-cyanato-?N)ferrate(III) bis-[(4-meth-oxypyri-dine-?N)pentakis-(thio-cyanato-?N)ferrate(III)] hexa-kis-(thio-cyanato-?N)ferrate(III) with iron in three different octa-hedral coordination environments.

Project description:The crystal structure of the title salt, (C6H8NO)8[Fe(NCS)4(C6H7NO)2][Fe(NCS)5(C6H7NO)]2[Fe(NCS)6], comprises three negatively charged octa-hedral FeIII complexes with different coordination environments in which the FeIII atoms are coordinated by a different number of thio-cyanate anions and 4-meth-oxy-pyridine ligands. Charge balance is achieved by 4-meth-oxy-pyridinium cations. The asymmetric unit consists of three FeIII cations, one of which is located on a centre of inversion, one on a twofold rotation axis and one in a general position, and ten thio-cyanate anions, two 4-meth-oxy-pyridine ligands and 4-meth-oxy-pyridinium cations (one of which is disordered over two sets of sites). Beside to Coulombic inter-actions between organic cations and the ferrate(III) anions, weak N-H?S hydrogen-bonding inter-actions involving the pyridinium N-H groups of the cations and the thio-cyanate S atoms of the complex anions are mainly responsible for the cohesion of the crystal structure.

| S-EPMC5947788 | biostudies-literature

Tris(2,2'-bipyridine-?N,N')cobalt(III) octa-cyanido-tungstate(V).

Project description:In the title compound, [Co(C(10)H(8)N(2))(3)][W(CN)(8)], the Co atom (..2 site symmetry) is coordinated by six N atoms from three 2,2'-bipyridine ligands in an octa-hedral geometry; the Co-N bond distances range from 1.926?(2) to 1.939?(2)?Å. The W (..2 site symmetry) metal center is coordinated by eight cyanide ligands, resulting in a dodeca-hedral conformation with W-C distances in the range 1.165?(3)-2.176?(3)?Å. The cations and anions are linked into a three-demensional structure by weak C-H?N hydrogen bonds.

| S-EPMC2980176 | biostudies-literature

(1,4,7,10,13,16-Hexaoxacyclo-octa-deca-ne)dimethyl-indium(III) trifluoro-methane-sulfonate.

Project description:In the title compound, [In(CH(3))(2)(C(12)H(24)O(6))](CF(3)O(3)S), two of the In-O distances within the cation are significantly shorter than the other four. The In(III) atom is in a distorted hexa-gonal-bipyramidal coordination geometry in which the C-In-C angle is 175.44 (12)°. The crystal structure is stabilized by weak inter-molecular C-H⋯O hydrogen bonds.

| S-EPMC3051716 | biostudies-literature

Hexa-kis-(4-acetyl-pyridinium) octa-deca-chloridotetra-anti-monate(III).

Project description:The title compound, (C(7)H(8)NO)(6)[Sb(4)Cl(18)], contains centrosymmetric hexa-anions built up from four vertex-sharing alternating SbCl(5) square-based pyramids and highly distorted SbCl(6) octa-hedra when long (<3.2 Å) 'secondary' Sb-Cl inter-actions are taken into account. The inter-polyhedral Sb-Cl bonds define a square-shape. In the crystal, the components are linked by N-H⋯Cl, C-H⋯Cl and C-H⋯O hydrogen bonds, generating a three-dimensional network.

| S-EPMC3007073 | biostudies-literature

Bis[4-(dimethyl-amino)-pyridinium] octa-aqua-chloridolanthanum(III) tetra-chloride trihydrate.

Project description:The title organic-inorganic salt, (C(7)H(11)N(2))(2)[LaCl(H(2)O)(8)]Cl(4)·3H(2)O, consists of two 4-(dimethyl-amino)-pyridinium and one [La(H(2)O)(8)Cl](2+) cations, four chloride anions and three solvent water mol-ecules. In the crystal, the various units are connected by N-H⋯Cl, O-H⋯Cl, O-H⋯O and N-H⋯O hydrogen bonds, forming a network of alternating organic and inorganic layers. The 4-(dimethyl-amino)-pyridinium cations stack along the c axis, while the inorganic layers lie parallel to the ac plane. The chloride anions are located between these entities, forming hydrogen bonds with the NH atom of the pyridinium ions and the water mol-ecules. There are also C-H⋯Cl hydrogen bonds present involving one of the 4-(dimethyl-amino)-pyridinium cations, resulting in the formation of a three-dimensional supra-molecular architecture.

| S-EPMC3515091 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

Tweets

OmicsDI Databases

PRIDE
PeptideAtlas
MassIVE
JPOST Repository
Physiome Model Repository

EGA
EVA
ENA
LINCS
PAXDB
Cell Collective

MetaboLights
Metabolomics Workbench
MetabolomeExpress
GNPS
BioModels
FAIRDOMHub

ArrayExpress
dbGaP
ExpressionAtlas
GEO
NODE

Information

Databases
Help
API
Contact us
Code on GitHub
Terms of use
Submit Data