Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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.

SUBMITTER: Senge MO

PROVIDER: S-EPMC3212153 | biostudies-other | 2011 Aug

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

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

Senge Mathias O MO Richter Julia J

Acta crystallographica. Section E, Structure reports online 20110713 Pt 8

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 (Δ24) 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 ...[more]

PMID: 22090855

Similar Datasets

(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

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

(5,10,15,20-Tetra-phenyl-porphyrinato-?N)(2,2,2-trifluoro-1-phenyl-ethyl-idene-?C)ruthenium(II): a stable fluorinated alkyl-idene complex of a ruthenium(II) porphyrin.

Project description:In the title compound, [Ru(C(44)H(28)N(4))(C(8)H(5)F(3))], the fluorin-ated alkyl-idene group is bound to a five-coordinate Ru atom, which is located toward the carbene C atom, 0.3301?(5)Å from the least-squares plane of the C(20)N(4) porphyrin core. The Ru=C bond is tilted slightly from the normal to the C(20)N(4) least-squares plane due to steric repulsion between the porphyrinate ligand and the bulky trifluoro-methyl group. The Ru=C bond length of 1.838?(2)?Å is comparable with those in bis-(subsituted phen-yl)carbene analogs.

| S-EPMC2960679 | biostudies-literature

Tetra-ethyl-ammonium dicyanido(5,10,15,20-tetra-phenyl-porphyrinato)ferrate(III) di-chloro-methane monosolvate.

Project description:The title compound, (C8H20N)[Fe(C44H28N4)(CN)2]·CH2Cl2 or (Et4N)[Fe(TPP)(CN)2], was recrystallized from di-chloro-methane-diethyl ether. The compound crystallizes with the two unique halves of the Fe(III) porphyrinato complex, one tetra-ethyl-ammonium cation and one inter-stitial di-chloro-methane mol-ecule within the asymmetric unit. Both anionic Fe(III) complexes exhibit inversion symmetry. Both the cation and the solvent mol-ecules show positional disorder. The cation is disordered over two sets of sites with an occupancy ratio of 0.710?(3):0.290?(3); the solvent mol-ecule is disordered over three positions with a 0.584?(6):0.208?(3):0.202?(5) ratio. The crystal packing features columns of [Fe(TPP)(CN)2](-) anions that propagate along [001]. The columns further pack into layers that are parallel to (011) and also include the Et4N(+) cations. The inter-stitial CH2Cl2 mol-ecules appear in the inter-layer space. This complex may serve as a useful precursor for the assembly of multinuclear and extended CN-bridged complexes for the design of single-mol-ecule and single-chain magnets, respectively.

| S-EPMC3793695 | biostudies-literature

Bromido[(1,2,5,6-?)-cyclo-octa-1,5-diene]methyl-platinum(II).

Project description:In the title complex, [PtBr(CH(3))(C(8)H(12))], the Pt(II) ion is in a distorted square-planar environment defined by the Br and methyl C atoms and the mid-points of the two ?-coordinated double bonds of cyclo-octa-1,5-diene. As a result of the different trans influences of the Br atom and the methyl group, the Pt-C bonds trans to the methyl group [2.262?(11) and 2.261?(10)?Å] are longer than those trans to the Br atom [2.118?(8) and 2.138?(9)?Å].

| S-EPMC2980049 | biostudies-literature

Crystal structure of (5-{3-[(1,4,7,10,13-penta-oxa-16-aza-cyclo-octa-decan-16-yl)carbonyl-amino]-phen-yl}-10,15,20-tri-phenyl-porphyrinato)cobalt(II).

Project description:In the title compound, [Co(C57H52N6O6)], the central CoII atom is coordinated by four pyrrole N atoms of the porphyrin core and one O atom of the crown ether. The complex has a distorted porphyrin core, with mean absolute core-atom displacements of 0.14?(10) (Ca), 0.20?(10) (Cb), 0.24?(4) (Cm) and 0.18?(10)?Å (Cav), respectively. The axial Co-O bond length is 2.3380?(15) and the average Co-Np bond length is 1.968?(5)?Å. Intra-molecular N-H?O and inter-molecular C-H?? inter-actions are observed.

| S-EPMC5499269 | biostudies-literature

(5,10,15,20-Tetra-phenyl-porphyrinato-?N)cobalt(II)-18-crown-6 (1/1).

Project description:The asymmetric unit of the title compound, [Co(C(44)H(28)N(4))]·C(12)H(24)O(6), contains one half of a Co(II)(TPP) (TPP is tetra-phenyl-porphyrin) complex and one half of an 18-crown-6 mol-ecule of crystallization, both lying on inversion centers. The Co(II)(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 mol-ecule is 2.533?(2)?Å, indicating a short non-bonded contact between the Co atom and the crown ether mol-ecule. An ethyl-ene group of the 18-crown-6 mol-ecule is disordered over two sites with occupancies of 0.565?(7) and 0.435?(7).

| S-EPMC2979047 | biostudies-literature

Chloridocyclo-hexyl[(1,2,5,6-η)-cyclo-octa-1,5-diene]platinum(II).

Project description:In the title complex, [Pt(C(6)H(11))Cl(C(8)H(12))], the Pt(II) ion lies in a distorted square-planar environment defined by the Cl and cyclo-hexyl C atoms and the mid-points of the two π-coordinated double bonds of cyclo-octa-1,5-diene. As a result of the different trans influences of the Cl atom and the cyclo-hexyl group, the Pt-C bonds trans to the cyclo-hexyl group are longer than those trans to the Cl atom.

| S-EPMC2971967 | biostudies-literature

[2,3,7,8,13,14,17,18-Octa-kis(ethyl-sulfan-yl)-5,10,15,20-porphyrazinato]zinc(II).

Project description:In the title compound, [Zn(C(32)H(40)N(8)S(8))], the Zn(II) ion is coordinated by four N atoms in a slightly distorted square-planar environment. In addition, there is a Zn?S contact involving a symmetry-related S atom which, when considered, forms a pseudo-square-pyramidal coordination with respect to the Zn(II) ion. Three of the ethyl groups are disordered over two sites with occupancy ratios of 0.841?(10):0.159?(10), 0.802?(10):0.198?(10) and 0.457?(13):0.543?(13). Weak intra-molecular C-H?N and C-H?S inter-actions contribute to the stability of the mol-ecular conformation. Inter-molecular C-H?S contacts, weak C-H?? inter-actions and ?-? stacking inter-actions [centroid-centriod distances = 3.832?(4) and 3.850?(5)?Å] contribute to the stabilization of the crystal structure.

| S-EPMC3007436 | biostudies-literature

cis-Dichloridobis(2-phenyl-pyridine-?N)platinum(II).

Project description:In the title complex, cis-[PtCl(2)(C(11)H(9)N)(2)], the Pt(II) ion is situated in a slightly distorted square-planar environment coordinated by two N atoms from two 2-phenyl-pyridine ligands and two Cl atoms. The two pyridyl planes are inclined with dihedral angles of 59.1?(2) and 61.84?(19)° with respect to the PtCl(2)N(2) plane. In the crystal, the complex mol-ecules display inter- and intra-molecular ?-? stacking inter-actions, with centroid-centroid distances of 3.806?(5)-3.845?(5)?Å, which form a one-dimensional column structure along the a axis.

| S-EPMC3009048 | 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