Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: The crystal structures of two solvates of fac-tri-chlorido-tris-(tri-methyl-phosphane-?P)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.

SUBMITTER: Merola JS

PROVIDER: S-EPMC4384550 | biostudies-other | 2015 Feb

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

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.

Merola Joseph S JS Franks Marion A MA

Acta crystallographica. Section E, Crystallographic communications 20150131 Pt 2

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 betwee ...[more]

PMID: 25878826

Similar Datasets

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

Project description: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.

| S-EPMC3998271 | biostudies-literature

Tri-methyl-phospho-nium trans-tetra-chlorido-bis-(tri-methyl-phosphane-κP)iridate(III).

Project description:The title compound, [HP(CH3)3][IrCl4{(H3C)3P}2], consists of a tri-methyl-phospho-nium cation and a tetra-chlorido-bis-(tri-methyl-phosphane)iridate(III) anion. The anion has an octa-hedral arrangement of ligands, with the tri-methyl-phosphane groups occupying trans positions. The Ir(III) atom sits on an inversion center with one P(CH3)3 ligand and two chloride ligands in the asymmetric unit. The tri-methyl-phospho-nium cation is disordered about a twofold rotation axis. The title compound is the first structurally characterized tetra-chlorido-bis-(phosphane)iridate complex.

| S-EPMC3998401 | biostudies-literature

Crystal structure of chlorido-(?(2)-phenyl iso-thio-cyanate-?(2) C,S)-mer-tris-(tri-methyl-phosphane-?P)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 ?(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

Crystal structure of fac-tri-chlorido-[tris-(pyridin-2-yl-N)amine]-chromium(III).

Project description:In the neutral complex mol-ecule of the title compound, fac-[CrCl3(tpa)] [tpa is tris-(pyridin-2-yl)amine; C15H12N4], the Cr(III) ion is bonded to three N atoms that are constrained to a facial arrangement by the tpa ligand and by three chloride ligands, leading to a distorted octa-hedral coordination sphere. The average Cr-N and Cr-Cl bond lengths are 2.086 (5) and 2.296 (4) Å, respectively. The complex mol-ecule is located on a mirror plane. In the crystal, a combination of C-H⋯N and C-H⋯Cl hydrogen-bonding inter-actions connect the mol-ecules into a three-dimensional network.

| S-EPMC4331883 | biostudies-literature

Serendipitous preparation of fac-(aceto-nitrile-κN)tri-chlorido-[(1,2,5,6-η)-cyclo-octa-1,5-diene]iridium(III).

Project description:A reaction between [(COD)IrCl]2 (COD is cyclo-octa-1,5-diene), HCl and indene failed to provide the hoped for chlorido-indenyliridium dimer, but instead produced the title compound, [IrCl3(CH3CN)(C8H12)], which is an octa-hedral complex of iridium(III) with a chelating cyclo-octa-1,5-diene ligand, three chloride ligands in a fac arrangement, and one aceto-nitrile ligand. Attempts to devise a rational synthesis for the title compound were unsuccessful.

| S-EPMC4438853 | 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 structure of di-chlorido-[2-(1H-imidazol-2-yl-?N (3))imidazolato-?N]bis-(tri-n-butyl-phosphane-?P)rhodium(III).

Project description:In the title compound, [Rh(C6H5N4)Cl2(C12H27P)2], the Rh(III) ion is chelated by the singly deprotonated 2,2'-biimidazolate (Hbim(-)) ligand and coordinated by two chloride ions and two tri-n-butyl-phosphane ligands. The chloride ions and N atoms of the Hbim(-) ligand lie in a plane where the sum of X-Rh-X angles between cis sites is 360°. The phosphane ligands occupy the sites perpendicular to the plane, completing the overall distorted octahedral coordination sphere. The complex forms a self-complementary hydrogen-bonded dimer with the inversion-related complex through N-H?N hydrogen bonds.

| S-EPMC4257268 | biostudies-literature

mer-Tri-chlorido-tris-(tetra-hydro-thio-phene-?S)iridium(III): preparation and comparison with other mer-tri-chlorido-tris-(tetra-hydro-thio-phene-?S)metal complexes.

Project description:The title complex, [IrCl3(C4H8S)3], was prepared according to a literature method. A suitable crystal was obtained by diffusion of pentane into a di-chloro-methane solution and analyzed by single-crystal X-ray diffraction at 100?K. The title complex is isotypic with mer-tri-chlorido-tris-(tetra-hydro-thio-phene-?S)rhodium(III). However, the orientation of the tetra-hydro-thio-phene rings is different from an earlier report of mer-tri-chlorido-tris-(tetra-hydro-thio-phene-?S)iridium(III) deposited in the Cambridge Structural Database. The IrS3Cl3 core shows a nearly octa-hedral structure with various bond angles within 1-2° of the perfect 90 or 180° expected for an octa-hedron. The structure of the title compound is compared with the previous iridium complex as well as the rhodium and other octa-hedral metal tris-tetra-hydro-thio-phene compounds previously structurally characterized. DFT calculations were performed, which indicate the mer isomer is significantly lower in energy than the fac isomer by 50.1?kJ?mol-1, thereby accounting for all compounds in the CSD being of the mer geometry. Powder X-ray diffraction of the bulk material showed that the preparation method yielded only the isomorph reported in this communication.

| S-EPMC5120713 | biostudies-literature

Tri-?-chlorido-bis-[(?-hexa-methyl-benzene)-ruthenium(II)] tetra-chlorido-ferrate(III).

Project description:The mol-ecular geometry of the complex cation in the title structure, [(?-Cl)(3){Ru(II)(?(6)-C(6)Me(6))}(2)][Fe(III)Cl(4)], compares very well with that reported earlier for the corresponding PF(6) (-) salt [Pandey et al. (1999 ?). J. Organomet. Chem.592, 278-282]. The [FeCl(4)](-) counter ion has a rather regular tetra-hedral geometry with Fe-Cl distances and Cl-Fe-Cl angles in the range 2.1891?(7)-2.2018?(8)?Å and 107.10?(3)-110.56?(3)°, respectively. There are no significant inter-molecular inter-actions in the crystal except for some weak C-H?Cl contacts, which in turn indicates that the crystal packing is determined predominantly by electrostatic inter-actions between the ionic constituents.

| S-EPMC3201229 | biostudies-literature

Crystal structure of the co-crystal fac-tri-aqua-tris(thio-cyanato-κN)iron(III)-2,3-di-methyl-pyrazine (1/3).

Project description:In the crystal of the title compound, [Fe(NCS)3(H2O)3]·3C6H8N2, the Fe(III) cation is located on a threefold rotation axis and is coordinated by three N atoms of the thiocyanate anions and three water mol-ecules in a fac arrangement, forming a slightly distorted N3O3 octa-hedron. Stabilization within the crystal structure is provided by O-H⋯N hydrogen bonds; the H atoms from coordinating water mol-ecules act as donors to the N atoms of guest 2,3-di-methyl-pyrazine mol-ecules, leading to a three-dimensional supra-molecular framework.

| S-EPMC4438839 | 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