Browse
Submit Data
Databases
API
Help

Dataset Information

13 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Tris(ethanol-κO)tris-(picrato-κO,O)lanthanum(III) tri-2-pyridylamine solvate.

ABSTRACT: The title compound, [La(C(6)H(2)N(3)O(7))(3)(C(2)H(6)O)(3)]·C(15)H(12)N(4), has two mol-ecular building blocks, namely the neutral mononuclear adduct of lanthanum picrate with ethanol [i.e. La(pic)(3):EtOH (1:3); La(pic)(3) = lanthanum picrate and EtOH = ethanol] and the oligodentate aromatic nitro-gen base tri-2-pyridylamine (tpa). The asymmetric unit contains two formula units. The compound was prepared during an investigation of the stereochemistry of lanthanoid picrate complexes with O-donor ligands. The metal-ligand adduct adopts a nine-coordinate tricapped trigonal-prismatic metal atom environment. The stereochemical arrangement of the ligands about the metal core is typical of a fac-isomer with stoichiometry M(bidentate)(3)(monodentate)(3). Face-to-face hydrogen bonds are found between the tpa mol-ecule and the ethanol ligands. One ethanol ligand is disordered over two positions, with site occupancy factors of ca 0.7 and 0.3. The oxygen atoms of a nitro group are also disordered over two positions; the site occupancy factors are ca 0.6 and 0.4.

SUBMITTER: Chan EJ

PROVIDER: S-EPMC2961913 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

Crystal structure of bis-(μ2-meth-anolato-κO:κO)hexa-methyl-bis-(μ2-tri-phenyl-acetato-κO:κO')bis-(μ2-tri-phenyl-acetato-κ2 O,O':κO)dialuminiumdi-lanthanum toluene tetra-solvate.

Project description:The title compound, [Al2La2(C20H15O2)4(CH3)6(CH3O)2]·4CH3C6H5 or [{La(Ph3CCOO)2(Me3AlOMe)}2]·4CH3C6H5, was formed in a reaction between lanthanum tris-(tetra-methyl-aluminate) and tri-phenyl-acetic acid (1:1) with unintended partial oxidation. The tri-phenyl-acetate ligand exhibits μ2-κ1 O:κ1 O' bridging and μ2-κ2 O,O':κ1 O semi-bridging coordination modes, forming a dimeric La2(μ-OCO)4 core. The semi-bridging tri-phenyl-acetate group provides additional bonding with an La3+ cation via the π-system of one of its phenyl rings. The tri-methyl-meth-oxy-aluminate anion, which is coordinated to the La3+ cation by its O atom, displays a rather long La-CMe bond. Two toluene mol-ecules are each disordered over two orientations about centres of symmetry with site occupancy factors of 0.5. The title compound represents the first example of an LnIII complex containing both alkyl alkoxide aluminate and π-bounded arene fragments.

| S-EPMC6281095 | biostudies-literature

catena-Poly[[aqua-(4-ethyl-benzoic acid-κO)lanthanum(III)]-tri-μ-4-ethyl-benzoato].

Project description:The reaction of lanthanum nitrate and 4-ethyl-benzoic acid (EBAH) in aqueous solution yielded the title polymer, [La(C(9)H(9)O(2))(3)(C(9)H(10)O(2))(H(2)O)](n). The asymmetric unit contains one La(III) atom, three 4-ethyl-benzoate (EBA) ligands, one neutral EBAH ligand and one coordinated water mol-ecule. Each La(III) ion is eight-coordinated by six O atoms from six bridging-bidentate EBA ligands, one O atom from a monodentate EBAH ligand and one water O atom in a distorted bicapped trigonal-prismatic geometry. The adjacent La(III) ions are linked by the carboxyl-ate groups of EBA ligands in a bridging-bidetate coordination mode, resulting in an infinite chain structure along the c axis. O-H⋯O hydrogen-bonding inter-actions involving the water mol-ecules, carboxyl-ate groups and carboxyl H atoms are formed within the one-dimensional polymer. One of the ethyl groups is disordered over two positions with occupancies of 0.717 (7) and 0.283 (7).

| S-EPMC2979983 | biostudies-literature

Tris{2-meth-oxy-6-[(4-methyl-phen-yl)iminiometh-yl]phenolate-κO,O'}tris-(thio-cyanato-κN)lanthanum(III).

Project description:In the title compound, [La(NCS)(3)(C(15)H(15)NO(2))(3)], the metal centre is nine-coordinated by six O atoms from three zwitterionic Schiff base 2-meth-oxy-6-[(4-methyl-phen-yl)iminio-meth-yl]phenolate (L) ligands and three terminal N atoms of the thio-cyanate ions in a monocapped square-anti-prismatic environment. The L ligands chelate the La(III) ion with strong La-O(deprotonated phenolic) bonds [2.435 (3)-2.464 (3) Å] and significantly longer La-O(meth-oxy) bonds [2.801 (3)-2.831 (3) Å]. The La-N bond lengths range from 2.541 (4) to 2.605 (4) Å.

| S-EPMC2971951 | biostudies-literature

fac-Tris(4-amino-benzohydroxamato)iron(III) ethanol solvate.

Project description:In the structure of the title compound, [Fe(C(7)H(7)N(2)O(2))(3)]·CH(3)CH(2)OH, the Fe(III) atom is in a distorted octa-hedral O(6) environment with the three hydroxamate O atoms (and the three carbonyl O atoms) arranged in a fac configuration and one of the hydroxamate ligands being puckered. The methyl C atom of the ethanol solvent mol-ecule is disordered over two positions with occupancies of 0.626?(13) and 0.374?(13), respectively. The cocrystallized ethanol mol-ecule is hydrogen bonded to one of the hydroxamate O atoms. O-H?O and N-H?O inter-actions generate infinite three-dimensional networks along [100], [010] and [001].

| S-EPMC3006831 | biostudies-other

Dichlorido[tris-(benzimidazol-2-ylmeth-yl)amine]-indium(III) chloride ethanol solvate dihydrate.

Project description:In the title complex, [InCl(2)(C(24)H(21)N(7))]Cl·C(2)H(5)OH·2H(2)O, the In(III) ion is coordinated by four N atoms from the tris-(benz-imidazol-2-ylmeth-yl)amine (NTB) ligand and two Cl atoms in a distorted octa-hedral environment. In the crystal structure, inter-molecular N-H?O, O-H?O, O-H?Cl and weak C-H?Cl hydrogen bonds connect the cations, anions and solvent mol-ecules into a three-dimensional network. The ethanol solvent mol-ecule is disordered over two sites with refined occupancies of 0.54?(2) and 0.46?(2).

| S-EPMC3007265 | biostudies-literature

Tris(3-amino-phen-yl)phosphine oxide ethanol solvate.

Project description:The title compound crystallized as an ethanol solvate, C(18)H(18)N(3)OP·C(2)H(6)O. It is the reduction product of tris-(3-nitro-phen-yl)phosphine oxide. In the crystal, there are inter-molecular N-H?O hydrogen bonds between neighbouring tris-(3-amino-phen-yl)phosphine oxide mol-ecules and O-H?O hydrogen bonds involving the ethanol solvent mol-ecule.

| S-EPMC2969104 | biostudies-literature

Hexa-?-chlorido-hexa-chlorido(?-hexa-methyl-benzene)trialuminium(III)lanthanum(III) benzene solvate.

Project description:In the title compound, [Al(3)LaCl(12)(C(12)H(18))]·C(6)H(6), all mol-ecules are located on a mirror plane. Three chloridoaluminate groups and a hexa-methyl-benzene mol-ecule are bound to the central lanthanum(III) ion, forming a distorted penta-gonal bipyramid with the ?(6)-coordinated arene located at the apical position. The hexa-methyl-benzene ligand disordered between two orientations in a 1:1 ratio is also involved in parallel-slipped ?-? stacking inter-molecular inter-actions with a benzene solvent mol-ecule [centroid-centroid distance 3.612?(4)?Å].

| S-EPMC2968558 | biostudies-literature

Tris(nitrato-κO,O')bis-(1,10-phenanthroline-κN,N')holmium(III).

Project description:In the title compound, [Ho(NO(3))(3)(C(12)H(8)N(2))(2)], the ten-coordinate Ho(III) ion is chelated by four N atoms from two phenanthroline (phen) ligands and six O atoms from three bidentate nitrate groups. The environment around the Ho atom can be described as a distorted bicapped square anti-prism. Two phenanthroline ligands form a dihedral angle of 43.72 (13)°. Short inter-molecular distances between the centroids of the six-membered rings [3.6887 (14)-3.8374 (16) Å] indicate the existence of π-π inter-actions, which link the mol-ecules into stacks extended in the [10] direction. The crystal packing is further stabilized by weak inter-molecular C-H⋯O hydrogen bonds.

| S-EPMC2961938 | biostudies-literature

Crystal structure of bis(μ2-tri-phenyl-acetato-κO:κO')bis(diisobutylaluminium).

Project description:Single crystals of the title compound, [Al(iBu)2(O2CCPh3)]2 or [Al2(C4H9)4(C20H15O2)2], have been formed in the reaction between tris-(tetra-hydro-furan)-tris-(tri-phenyl-acetato)-neodymium, [Nd(Ph3CCOO)3(THF)3], and triiso-butyl-aluminium, Al(iBu)3, in hexane followed by low-temperature crystallization (243 K) from the reaction mixture. The structure has triclinic (P ) symmetry at 120 K. The dimeric complex [Al(iBu)2(O2CCPh3-μ-κO:κO')]2 is located about an inversion centre. The tri-phenyl-acetate ligand displays a μ-κO:κO'-bridging coordination mode, leading to the formation of an octa-gonal Al2O4C2 core. The complex displays HPh⋯CPh inter-molecular inter-actions.

| S-EPMC6509680 | biostudies-other

Tris[hexa-amminecobalt(III)] bis-[tri-oxalato-cobaltate(II)] chloride dodeca-hydrate.

Project description:The title compound, [Co(III)(NH?)?]?[Co(II)(C?O?)?]?Cl·12H?O, was synthesized under hydro-thermal conditions. The asymmetric unit comprises two [Co(NH?)?]³? cations, one located on a threefold axis and the other on a site of symmetry -3, a [Co(C?O?)?]?? anion, located on a threefold axis, one sixth of a chloride anion [disordered over two sites, one threefold (site occupancy = 0.5) and the other -3 (site occupancy (0.25)] and two water molecules. Both Co(III) centers are six-coordinated by NH? mol-ecules, forming [Co(NH?)?]³? octa-hedra, with Co-N distances in the range 1.958?(2)-1.977?(3)?Å. The title structure gives the first example of the [Co(C?O?)?]?? anion, with the distorted octa-hedral environment of Co(II) center formed by six O atoms from three oxalate residues. The Co-O bond lengths are 2.0817?(18) to 2.0979?(18)?Å. Multiple N-H?O, N-H?Cl and O-H?O hydrogen bonds link the cations, anions and water mol-ecules into a three-dimensional network.

| S-EPMC3393183 | biostudies-literature

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