Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Hydrido(prolinato-κ(2) N,O)tris-(tri-methyl-phosphane-κP)iridium(III) hexa-fluorido-phosphate.

ABSTRACT: The title complex, [Ir(C5H8NO2)H(C3H9P)3]PF6, has two independent anion-cation pairs in the asymmetric unit. The geometry about each Ir(III) atom is pseudo-octa-hedral with a meridional arrangement of the P(CH3)3 ligands, N,O-bidentate coordination of prolinate and a hydride ligand trans to the prolinate N atom. The independent Ir(III) moieties are joined by N-H⋯O hydrogen bonds and the N-H⋯O bonding motif continues throughout the structure, creating an extended chain parallel to the c-axis direction. The methyl groups of one P(CH3)3 ligand are rotationally disordered over two sets of sites in a 0.62 (2):0.38 (2) ratio.

SUBMITTER: Merola JS

PROVIDER: S-EPMC3998271 | biostudies-literature | 2014 Feb

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Hydrido(prolinato-κ(2) N,O)tris-(tri-methyl-phosphane-κP)iridium(III) hexa-fluorido-phosphate.

Merola Joseph S JS Roy Christopher P CP

Acta crystallographica. Section E, Structure reports online 20140131 Pt 2

The title complex, [Ir(C5H8NO2)H(C3H9P)3]PF6, has two independent anion-cation pairs in the asymmetric unit. The geometry about each Ir(III) atom is pseudo-octa-hedral with a meridional arrangement of the P(CH3)3 ligands, N,O-bidentate coordination of prolinate and a hydride ligand trans to the prolinate N atom. The independent Ir(III) moieties are joined by N-H⋯O hydrogen bonds and the N-H⋯O bonding motif continues throughout the structure, creating an extended chain parallel to the c-axis dire ...[more]

PMID: 24764832

Similar Datasets

mer-Hydridotris(tri-methyl-phosphane-κP)(d-valinato-κ(2) N,O)iridium hexa-fluorido-phosphate di-chloro-methane 0.675-solvate.

Project description:The title compound, [Ir(C5H10NO2)H(C3H9P)3]PF6·0.675CH2Cl2, an iridium compound with a meridional arrangement of PMe3 groups, O,N-bidentate coordination of d-valine and with a hydride ligand trans to the N atom is compared with the l-valine complex reported previously. As expected, the complexes from the corresponding l and d isomers of valine crystallize in enanti-omorphic space groups (P43 and P41, respectively). In the crystal, N-H⋯O and N-H⋯F hydrogen bonding is observed, the N-H to carbonyl oxygen hydrogen bond producing a helical motif that proceeds along the 41 screw of the c axis.

| S-EPMC3998477 | biostudies-literature

μ-Oxido-bis-[hydridotris(tri-methyl-phosphane-κP)iridium(III)](Ir-Ir) bis-(tetra-fluorido-borate) dihydrate.

Project description:The title compound, [Ir2H2O(C3H9P)6](BF4)2·2H2O, was isolated from the reaction between [Ir(COD)(PMe3)3]BF4 and H2 in water (COD is cyclo-octa-1,5-diene). The asymmetric unit consists of one Ir(III) atom bonded to three PMe3 groups, one hydride ligand and half an oxide ligand, in addition to a BF4 (-) counter-ion and one water molecule of hydration. The single oxide ligand bridging two Ir(III) atoms is disordered across an inversion center with each O atom having a 50% site occupancy. Each Ir(III) atom has three PMe3 groups occupying facial positions, with the half-occupancy O atoms, a hydride ligand and an Ir-Ir bond completing the coordination sphere. The Ir-Ir distance is 2.8614 (12) Å, comparable to other iridium(III) metal-metal bonds. Two water mol-ecules hydrogen bond to two BF4 (-) anions in the unit cell.

| S-EPMC3998581 | biostudies-literature

Crystal structures of fac-tri-chlorido-tris-(tri-methyl-phosphane-κP)rhodium(III) monohydrate and fac-tri-chlorido-tris-(tri-methyl-phosphane-κP)rhodium(III) methanol hemisolvate: rhodium structures that are isotypic with their iridium analogs.

Project description:The crystal structures of two solvates of fac-tri-chlorido-tris-(tri-methyl-phosphane-κP)rhodium(III) are reported, i.e. one with water in the crystal lattice, fac-[RhCl3(Me3P)3]·H2O, and one with methanol in the crystal lattice, fac-[RhCl3(Me3P)3]·0.5CH3OH. These rhodium compounds exhibit distorted octahedral coordination spheres at the metal and are isotypic with the analogous iridium compounds previously reported by us [Merola et al. (2013 ▶). Polyhedron, 54, 67-73]. Comparison is made between the rhodium and iridium compounds, highlighting their isostructural relationships.

| S-EPMC4384550 | biostudies-literature

Crystal structure of chlorido-(η(2)-phenyl iso-thio-cyanate-κ(2) C,S)-mer-tris-(tri-methyl-phosphane-κP)iridium(I).

Project description:The molecule of the title compound, [IrCl(C7H5NS)(C3H9P)3], is a distorted octa-hedral iridium complex with three PMe3 ligands arranged in a meridional geometry, a chloride ion cis to all three PMe3 groups and the phenyl iso-thio-cyanate ligand bonded in an η(2)-fashion through the C and S atoms. The C atom is trans to the chloride ion and the S atom is responsible for a significant deviation from an ideal octa-hedral geometry. The geometric parameters for the metal-complexing phenyl isothiocyanate group are compared with other metal-complexed phenyl iso-thio-cyanates, as well as with examples of uncomplexed aryl iso-thio-cyanates.

| S-EPMC4257346 | biostudies-literature

Tricarbonylbis-(triphenyl-phosphane-κP)iridium(I) hexa-fluoridophosphate methanol monosolvate.

Project description:In the title compound, [Ir(C(18)H(15)P)(2)(CO)(3)]PF(6)·CH(3)OH, the Ir(I) atom is coordinated by two triphenyl-phosphine ligands in axial sites and three carbonyl ligands in the equatorial plane of a fairly regular trigonal bipyramid: the equatorial C-Ir-C angles range from 115.45 (9) to 126.42 (10)°. The small deviations from the ideal tetra-hedral geometry around the P atoms are illustrated by C-P-C angles ranging from 104.08 (9) to 106.46 (9)°. In the crystal, the mol-ecules are linked by weak C-H⋯F, C-H⋯O and C-H⋯π inter-actions.

| S-EPMC3435607 | biostudies-literature

Bis(μ-diisopropyl-phosphanido-κ(2)P:P)bis-[hydrido(triisopropyl-phosphane-κP)platinum(II)].

Project description:In the centrosymmetric mol-ecular structure of the title compound [Pt(2)(C(6)H(14)P)(2)H(2)(C(9)H(21)P)(2)], each Pt(II) atom is bound on one side to a phosphane ligand (PiPr(3)) and a hydrido ligand. On the other side, it is bound to two phosphanide ligands (μ-PiPr(2)), which engage a bridging position between the two Pt(II) atoms, forming a distorted square-planar structure motif. The Pt⋯Pt distance is 3.6755 (2) Å. A comparable mol-ecular structure was observed for bis-(μ-di-tert-butyl-phosphanido)bis-[hydrido(triethyl-phosphane)platinum(II)] [Itazaki et al. (2004 ▶). Organometallics, 23, 1610-1621].

| S-EPMC3379133 | biostudies-literature

Tris(5,6-dimethyl-1,10-phenanthroline-κ(2)N,N')copper(II) bis-(hexa-fluorido-phosphate) acetonitrile monosolvate.

Project description:In the title compound, [Cu(C(14)H(12)N(2))(3)](PF(6))(2)·CH(3)CN, the [Cu(5,6-dmp)(3)](2+) cationic complex (5,6-dmp is 5,6-dimethyl-1,10-phenanthroline) is stabilized by two hexa-fluorido-phosphate anions and one acetonitrile solvent mol-ecule. The coordination geometry around the Cu(II) atom can be described as distorted elongated octa-hedral with R(out) = 2.277 (2) Å, R(in) = 2.052 (2) Å and a tetra-gonality of 0.9011, acquiring a 'static' stereochemistry. In the supra-molecular network, there are inter-molecular C-H⋯F and C-H⋯N inter-actions with R(3) (3)(16), R(2) (2)(7), R(1) (2)(4), R(3) (3)(16) and C(3) (2)(7) motifs that lead to an infinite three-dimensional network.

| S-EPMC3393235 | biostudies-literature

[1,1'-Bis(diphenyl-phosphino)cobalto-cenium-κP,P']dichloridoplatinum(II) hexa-fluorido-phosphate.

Project description:The title bimetallic compound, [PtCl(2){Co(C(17)H(14)P)(2)}]PF(6), was obtained by reaction of 1,1'-bis-(diphenyl-phosphino)cobalto-cenium hexa-fluorido-phosphate with bis-(acetonitrile)di-chloridoplatinum. The Pt(II) ion is four-coordinated in a slightly distorted square-planar environment by two P atoms of the 1,1'-bis-(diphenyl-phosphino)cobaltocenium moiety and two Cl atoms. In the crystal structure, mol-ecules are linked by weak C-H⋯F and C-H⋯Cl hydrogen bonds.

| S-EPMC2977235 | biostudies-literature

Dicyanido[tris-(2-pyridyl-meth-yl)amine]-cobalt(III) hexa-fluorido-phosphate.

Project description:In the title complex, [Co(CN)(2)(C(18)H(18)N(4))]PF(6), the Co(III) atom together with one of the pyridyl rings and two cyanide anions are located on a mirror plane, while the P atom is located on an inversion centre. The Co(III) atom exhibits an octa-hedral geometry, coordinated by four N atoms from the tris-(2-pyridyl-meth-yl)amine ligand with an average Co-N distance of 1.953 (2) Å, and two cyanide C atoms with an average Co-C distance of 1.895 (2) Å. The crystal packing is stabilized by inter-molecular C-H⋯N and C-H⋯F inter-actions.

| S-EPMC3089135 | biostudies-literature

μ(3)-Bromido-oxidotri-μ(3)-sulfido-tris-(triphenyl-phosphane-κP)-tri-copper(I)-tungsten(VI).

Project description:The title complex, [Cu(3)WBrOS(3)(C(18)H(15)P)(3)], a neutral heavily distorted cubane-like W/S/Cu cluster, was self-assembled from ammonium trithio-tungstate(VI), cuprous bromide and triphenyl-phosphane in N,N-dimethyl-formamide. The average Cu-Br, Cu-S and W-μ(3)-S bond lengths are 2.731 (2), 2.318 (2) and 2.256 (2) Å, respectively, in the distorted cubane-like skeleton. The W atom exhibits tetra-hedral geometry, formed by one terminal O atom and three μ(3)-S atoms; the W-O bond length is 1.728 (6) Å. Each Cu atom is coordinated by one P atom from a triphenyl-phosphane ligand, and two μ(3)-S and one μ(3)-Br atoms, forming a distorted tetra-hedral coordination geometry.

| S-EPMC3297238 | 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