Browse
Submit Data
Databases
API
Help

Dataset Information

7 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

LiYbCl(4)(THF)(4).

ABSTRACT: The title compound, di-?-chlorido-dichlorido-1?(2)Cl-tetra-kis-(tetra-hydro-furan)-1?(2)O,2?(2)O-lithiumytterbium(III), [LiYbCl(4)(C(4)H(8)O)(4)], was prepared by the reaction of YbCl(3)(THF)(3) with LiCl in THF (THF is tetra-hydro-furan). The central motif of the structure is a Yb(?-Cl)(2)Li ring. The Yb atom is hexa-coordinated to four Cl atoms and two THF mol-ecules oriented in a trans fashion. The Li atom has a tetra-hedral environment and is coordinated to two Cl atoms and two THF mol-ecules. No inter-molecular inter-actions other than van der Waals forces were observed. Two of the THF mol-ecules are disordered over two positions.

SUBMITTER: Richtera L

PROVIDER: S-EPMC3120567 | biostudies-literature | 2011 Jun

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

LiYbCl(4)(THF)(4).

Richtera Lukas L Jancik Vojtech V Hermanova Sona S Krpoun Karel K Thompson-Montero Kimberly K

Acta crystallographica. Section E, Structure reports online 20110507 Pt 6

The title compound, di-μ-chlorido-dichlorido-1κ(2)Cl-tetra-kis-(tetra-hydro-furan)-1κ(2)O,2κ(2)O-lithiumytterbium(III), [LiYbCl(4)(C(4)H(8)O)(4)], was prepared by the reaction of YbCl(3)(THF)(3) with LiCl in THF (THF is tetra-hydro-furan). The central motif of the structure is a Yb(μ-Cl)(2)Li ring. The Yb atom is hexa-coordinated to four Cl atoms and two THF mol-ecules oriented in a trans fashion. The Li atom has a tetra-hedral environment and is coordinated to two Cl atoms and two THF mol-ecule ...[more]

PMID: 21754604

Similar Datasets

Design of substituted bis-Tetrahydrofuran (bis-THF)-derived Potent HIV-1 Protease Inhibitors, Protein-ligand X-ray Structure, and Convenient Syntheses of bis-THF and Substituted bis-THF Ligands.

Project description:We investigated substituted bis-THF-derived HIV-1 protease inhibitors in order to enhance ligand-binding site interactions in the HIV-1 protease active site. In this context, we have carried out convenient syntheses of optically active bis-THF and C4-substituted bis-THF ligands using a [2,3]-sigmatropic rearrangement as the key step. The synthesis provided convenient access to a number of substituted bis-THF derivatives. Incorporation of these ligands led to a series of potent HIV-1 protease inhibitors. Inhibitor 23c turned out to be the most potent (K(i) = 2.9 pM; IC(50) = 2.4 nM) among the inhibitors. An X-ray structure of 23c-bound HIV-1 protease showed extensive interactions of the inhibitor with the protease active site, including a unique water-mediated hydrogen bond to the Gly-48 amide NH in the S2 site.

| S-EPMC3325757 | biostudies-literature

Exploring the Reactivity of Na[W2(?-Cl)3Cl4(THF)2]?(THF)3 towards the Polymerization of Selected Cycloolefins.

Project description:The bimetallic compound Na[W2(?-Cl)3Cl4(THF)2]·(THF)? (1, {W (3) W}(6+), a'2e'4) is a highly efficient room-temperature initiator for ring opening metathesis polymerization (ROMP) of norbornene (NBE) and some of its derivatives. In most cases, addition of phenylacetylene (PA) as co-initiator improves the catalytic activity and retains the high cis-stereoselectivity. On the other hand, 1 can polymerize cyclopentadiene (CPD), not via a metathetic, but rather, via a cationic mechanism. Here, we present a comparison of the reactivity of the two catalytic systems (1 and 1/PA) between themselves and with other systems reported in the literature, the characterization of the polymers formed and mechanistic aspects of the corresponding reactions.

| S-EPMC6332418 | biostudies-literature

shoots and roots treated with methotrexate and 5-formyl-thf-Transcriptomic and metabolic changes in Arabidopsis thaliana supplemented with 5-CHO-THF and its relationship with the accumulation and transformation to THF active derivatives

Project description:au11-02_cho-thf - shoots and roots treated with methotrexate and 5-formyl-thf - Folates and 1C metabolism - The objective of this study is to investigate the changes on the plant expression profiles due to 5-CHO-THF assimilation and transformation. Additionally, plants supplemented with methotrexate (MTX) (an inhibitor of folate biosynthesis) will complement the study. Results from this work will serve to better understand the effects of folate accumulation in plants.

2013-08-01 | GSE41406 | GEO

A Stable Naked Dithiolene Radical Anion and Synergic THF Ring-Opening.

Project description:Reaction of the lithium dithiolene radical 2• with the imidazolium salt [{(Me)CN(i-Pr)}2CH]+[Cl]- (in a 1:1 molar ratio) gives the first stable naked anionic dithiolene radical 3•, which, when coupled with hexasulfide, [{(Me)CN(i-Pr)}2CH]+2[S6]2- (4), and N-heterocyclic silylene 5, unexpectedly results in synergic THF ring-opening via a radical mechanism.

| S-EPMC7682752 | biostudies-literature

Crystal structure of the [(THF)Cs(?-?5:?5-Cp')3Yb] n oligomer.

Project description:The green compound poly[(tetra-hydro-furan)-tris-[?-?5:?5-1-(tri-methyl-sil-yl)cyclo-penta-dien-yl]caesium(I)ytterbium(II)], [CsYb(C8H13Si)3(C4H8O)] n or [(THF)Cs(?-?5:?5-Cp')3YbII] n was synthesized by reduction of a red THF solution of (C5H4SiMe3)3YbIII with excess Cs metal and identified by X-ray diffraction. The compound crystallizes as a two-dimensional array of hexa-gons with alternating CsI and YbII ions at the vertices and cyclo-penta-dienyl groups bridging each edge. This, based off the six-electron cyclo-penta-dienyl rings occupying three coordination positions, gives a formally nine-coordinate tris-(cyclo-penta-dien-yl) coordination environment to Yb and the Cs is ten-coordinate due to the three cyclo-penta-dienyl rings and a coordinated mol-ecule of THF. The complex comprises layers of Cs3Yb3 hexa-gons with THF ligands and Me3Si groups in between the layers. The Yb-C metrical parameters are consistent with a 4f 14 YbII electron configuration.

| S-EPMC7336790 | biostudies-literature

Isolation of a 2-hydroxytetrahydrofuran complex from copper-promoted hydroxylation of THF.

Project description:A complex of a binucleating macrocyclic ligand comprising a [Cu(II)(?-OH)Na](2+) core reacts with CuI in THF/CH3CN to yield a novel species with a deprotonated 2-hydroxytetrahydrofuran (THF-2-ol) bridging between Cu(II) and Na(I) ions. The complexes were characterized by X-ray crystallography, electron paramagnetic resonance spectroscopy, and electrospray ionization mass spectrometry. (18)O-labeling studies support incorporation of the O atom from ?-OH into the coordinated THF-2-ol ligand.

| S-EPMC3799914 | biostudies-literature

Nickel-Catalyzed Amination of Aryl Chlorides and Sulfamates in 2-Methyl-THF.

Project description:The nickel-catalyzed amination of aryl O-sulfamates and chlorides using the green solvent 2-methyl-THF is reported. This methodology employs the commercially available and air-stable precatalyst NiCl2(DME), is broad in scope, and provides access to aryl amines in synthetically useful yields. The utility of this methodology is underscored by examples of gram-scale couplings conducted with catalyst loadings as low as 1 mol % nickel. Moreover, the nickel-catalyzed amination described is tolerant of heterocycles and should prove useful in the synthesis of pharmaceutical candidates and other heteroatom-containing compounds.

| S-EPMC4165539 | biostudies-literature

Observations of tetrel bonding between sp<sup>3</sup>-carbon and THF.

Project description:We report the direct observation of tetrel bonding interactions between sp3-carbons of the supramolecular synthon 3,3-dimethyl-tetracyanocyclopropane (1) and tetrahydrofuran in the gas and crystalline phase. The intermolecular contact is established via σ-holes and is driven mainly by electrostatic forces. The complex manifests distinct binding geometries when captured in the crystalline phase and in the gas phase. We elucidate these binding trends using complementary gas phase quantum chemical calculations and find a total binding energy of -11.2 kcal mol-1 for the adduct. Our observations pave the way for novel strategies to engineer sp3-C centred non-covalent bonding schemes for supramolecular chemistry.

| S-EPMC8159407 | biostudies-literature

Pseudonocardia dioxanivorans strain CB1190 during growth on THF or succinate

Project description:Analysis of gene expression in Pseudonocardia dioxanivorans strain CB1190 during growth on THF (tetradhydrofuran) or succinate, and re-analysis of GSE33197 published expression data.

2013-07-12 | GSE48814 | GEO

2013-08-01 | E-GEOD-41406 | biostudies-arrayexpress

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

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