Browse
Submit Data
Databases
API
Help

Dataset Information

25 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Poly[aqua-bis(?-benzene-1,2-dicarboxyl-ato)ethano-ltetra-lithium].

ABSTRACT: In the crystal structure of the title compound [Li(4)(C(8)H(4)O(4))(2)(C(2)H(5)OH)(H(2)O)](n), there are four crystallographically independent metal centers each of which is coordinated by four O atoms. The benzene-1,2-dicarboxyl-ate groups act as bidentate-bridging ligands producing a two-dimensional coordination network parallel to the ab plane. The coordination polymer is further stabilized by coordination of water and ethanol mol-ecules by the Li(+) ions. Simultaneously, the water and ethanol mol-ecules are involved in O-H?O and C-H?? inter-actions.

SUBMITTER: Rodriguez-Cuamatzi P

PROVIDER: S-EPMC2968522 | biostudies-literature | 2009 Feb

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Poly[aqua-bis(μ-benzene-1,2-dicarboxyl-ato)ethano-ltetra-lithium].

Rodríguez-Cuamatzi Patricia P Tlahuext Hugo H Höpfl Herbert H

Acta crystallographica. Section E, Structure reports online 20090204 Pt 3

In the crystal structure of the title compound [Li(4)(C(8)H(4)O(4))(2)(C(2)H(5)OH)(H(2)O)](n), there are four crystallographically independent metal centers each of which is coordinated by four O atoms. The benzene-1,2-dicarboxyl-ate groups act as bidentate-bridging ligands producing a two-dimensional coordination network parallel to the ab plane. The coordination polymer is further stabilized by coordination of water and ethanol mol-ecules by the Li(+) ions. Simultaneously, the water and ethano ...[more]

PMID: 21582040

Similar Datasets

Poly[[aqua-tris-(?(4)-benzene-1,2-dicarboxyl-ato)dilanthanum(III)] hemihydrate].

Project description:The asymmetric unit of the title coordination polymer, {[La(2)(C(8)H(4)O(4))(3)(H(2)O)]·0.5H(2)O}(n), contains two independent La(III) atoms, one of which is surrounded by eight carboxyl-ate-O atoms from six benzene-1,2-dicarboxyl-ate (BDC) anions in a bicapped trigonal-prismatic geometry. The other La(III) atom is nine-coordinated in a tricapped trigonal-prismatic geometry, formed by eight carboxyl-ate-O atoms from six BDC anions and a coordinated water mol-ecule. The BDC anions bridge the La(III) atoms, forming a two-dimensional polymeric complex parallel to (001). The crystal structure contains weak O-H?O and non-classical C-H?O hydrogen bonds. A C-H?? inter-action is also present in the crystal structure. The uncoordinated water molecule shows half-occupation.

| S-EPMC3201334 | biostudies-literature

Poly[hexa-aqua-bis-(?(4)-pyrimidine-4,6-dicarboxyl-ato)tetra-lithium].

Project description:The asymmetric unit of the title compound, [Li(4)(C(6)H(2)N(2)O(4))(2)(H(2)O)(6)](n), comprises two Li(+) ions bridged by a completely deprotonated pyrimidine-3,6-dicarboxyl-ate ligand and coordinated by two water mol-ecules; the asymmetric units related by an inversion operation create a structural unit which forms part of a two-dimensional polymeric structure parallel to (10-1). One of the Li(+) ions shows a distorted tetra-hedral arrangement involving two symmetry-related coordinating water mol-ecules and two carboxyl-ate O atoms. The other Li(+) ion is in distorted trigonal-bipyramidal geometry defined by N and O atoms of the ligands and a water mol-ecule. Water O atoms are proton donors to carboxyl-ate O atoms forming hydrogen bonds.

| S-EPMC3470151 | biostudies-literature

Poly[diaqua-penta-kis(?(4)-benzene-1,2-dicarboxyl-ato)(?(3)-benzene-1,2-dicarboxyl-ato)tetra-thulium(III)].

Project description:The title compound, [Tm(4)(C(8)H(4)O(4))(6)(H(2)O)(2)](n), has been synthesized hydro-thermally. The asymmetric unit has four unique Tm(III) ions that are six-, seven-, eight- and nine-coordinate. The cations are inter-connected by bridging benzene-1,2-dicarboxyl-ate (BDC) anions to form an infinite two-dimensional framework, in which the BDC ligands adopt three different coordination modes. Adjacent sheets are further packed to form a three-dimensional supra-molecular framework through O-H?O hydrogen bonds.

| S-EPMC2960755 | biostudies-literature

catena-Poly[[?(2)-aqua-diaqua-bis-(?(4)-pyridazine-3,6-dicarboxyl-ato)tetra-lithium] monohydrate].

Project description:In the polymeric structure of the title compound {[Li(2)(C(6)H(2)N(2)O(4))(2)Li(H(2)O)(2)Li(H(2)O)]·H(2)O}(n), the coordination of two independent Li(I) ions is distorted trigonal-bipyramidal and that of the other two independent Li(I) ions is distorted tetra-hedral. The former two Li(I) ions are bridged by hetero-ring N atoms of two independent pyridazine-3,6-dicarboxyl-ate ligands, making a dimeric moiety. The carboxyl-ato-O atoms of both bidentate ligands bridge the dimers to adjacent independent aqua-coordinated Li(I) ions, forming mol-ecular ribbons. The latter are bridged by ligand carboxyl-ato and aqua O atoms, forming mol-ecular layers parallel to (100) which are held together by an extended system of O-H?O hydrogen bonds.

| S-EPMC3201440 | biostudies-literature

Bis(hydrazin-1-ium) bis-(?(2)-pyridazine-3,6-dicarboxyl-ato)bis-(aqua-lithiate) octa-aqua-bis-(?(3)-pyridazine-3,6-dicarboxyl-ato)tetra-lithium.

Project description:The unit cell of the title compound, (N(2)H(5))(2)[Li(2)(C(6)H(2)N(2)O(4))(2)(H(2)O)(2)]·[Li(4)(C(6)H(2)N(2)O(4))(2)(H(2)O)(8)], comprises two centrosymmetric complexes, one double negatively charged and one neutral, and two mono-protonated hydrazine cations. The anionic complex molecule is a dimer, built of a pair of symmetry-related pyridazine-3,6-dicarboxyl-ate ligands and a pair of Li(I) ions, each coordinated by two N,O-chelating sites donated by a ligand mol-ecule and an aqua O atom at the apical position. The penta-coordination around the Li(I) ions is partway between a trigonal-bipyramidal and a square-pyramidal arrangement. The two carb-oxy-lic acid groups of the ligand are deprotonated and one carboxyl-ate O atom of each group is not involved in the coordination, and this applies to both the anionic and the neutral complex. The neutral complex molecule is also composed of a pair of Li(I) ions and a pair of ligand mol-ecules related by a centre of symmetry. They form a dimeric core in which the penta-coordination of the Li(I) ions includes two N,O-bonding groups donated by two ligands and an aqua O atom. The penta-coordination is described as partway between a trigonal-bipyramidal and a square-pyramidal arrangement. The coordinated carboxyl-ate group is bidentate-bridging, forming with an Li(H(2)O)(3) unit a neutral tetra-meric mol-ecule. The coordination of the tetra-coordinated Li(I) ion shows a slightly distorted tetra-hedral geometry. An extended system of O-H?O and N-H?O hydrogen bonds contributes to the stability of the crystal structure.

| S-EPMC3297271 | biostudies-literature

Poly[[dodeca-aqua-(?(4)-benzene-1,4-dicarboxyl-ato)(?(2)-4,4'-bipyridine-?(2)N:N')dicerium(III)] bis-(benzene-1,4-dicarboxyl-ate)].

Project description:The asymmetric unit of the title compound, {[Ce(2)(C(8)H(4)O(4))(C(10)H(8)N(2))(H(2)O)(12)](C(8)H(4)O(4))(2)}(n), consists of half a Ce(III) cation, a quarter of a coordinated benzene-1,4-dicarboxyl-ate (bdc(2-)) dianion, a quarter of a 4,4'-bipyridine (bpy) mol-ecule, three water mol-ecules and a half of an uncoordinated benzene-1,4-dicarboxyl-ate dianion. The Ce(III) ion is located on a twofold rotation axis and exhibits a distorted trigonal prism square-face tricapped coordination geometry. The coordinated and uncoordinated bdc(2-) ions and the bpy mol-ecule lie about special positions of site symmetries 2/m, m and 2/m, respectively. The Ce(III) ions are bridged by the bdc(2-) and bpy ligands, giving a sheet structure parallel to the ac plane. The uncoordinated bdc(2-) dianion exists between the sheets and links the sheets by inter-molecular O-H?O hydrogen bonds between the uncoordinated bdc(2-) and coordinated water mol-ecules. A ?-? stacking inter-action between the uncoordinated bdc(2-) dianion and the bpy ligand [centroid-centroid distance = 3.750?(4)?Å] is also observed.

| S-EPMC3344367 | biostudies-literature

Poly[aqua[?(2)-1,2-bis-(imidazol-1-yl-methyl)benzene-?N:N](?(2)-5-bromo-benzene-1,3-dicarboxyl-ato-?O,O:O)nickel(II)].

Project description:In the two-dimensional title coordination polymer, [Ni(C(8)H(3)BrO(4))(C(14)H(14)N(4))(H(2)O)](n), the Ni(II) atom adopts a distorted octa-hedral geometry, being ligated by three O atoms from two different 5-bromo-benzene-1,3-dicarboxyl-ate ligands, two N atoms from two 1,2-bis-(imidazol-1-ylmeth-yl)benzene ligands and one coordinated water mol-ecule. The Ni atoms are bridged by the 5-bromo-benzene-1,3-dicarboxyl-ate ligands, forming chains, which are further linked by 1,2-bis-(imidazol-1-ylmeth-yl)benzene, generating a layer structure parallel to (001).

| S-EPMC2969767 | biostudies-literature

catena-Poly[[aqua-bis-(N-benzyl-adenine-?N)copper(II)]-?-benzene-1,4-dicarboxyl-ato-?O:O].

Project description:In the title compound, [Cu(C(8)H(4)O(4))(C(12)H(11)N(5))(2)(H(2)O)](n), the Cu(II) ion is five-coordinated by two carboxyl-ate O atoms from two symmetry-related benzene-1,4-dicarboxyl-ate ligands, two N atoms from two symmetry-related N(6)-benzyl-adenine ligands and one water O atom in a square-pyramidal environment. The Cu(II) and water O atoms lie on a twofold rotation axis, and the benzene-1,4-dicarboxyl-ate ligand lies on an inversion center. The water O atom occupies the apical position and the basal plane is occupied by two O atoms and two N atoms. Each benzene-1,4-dicarboxyl-ate anion acts as a bis-monodentate ligand that binds two Cu(II) cations, forming an infinite chain extending parallel to [001]. The N(6)-benzyl-adenine ligands are attached on both sides of the chain. Neighboring chains are further inter-connected into the resulting three-dimensional supra-molecular architecture via O-H?O, N-H?O and N-H?N hydrogen bonds.

| S-EPMC3200734 | biostudies-literature

Aqua-(benzene-1,2-dicarboxyl-ato-?O)bis-[2-(1H-pyrazol-3-yl-?N)pyridine-?N]cadmium(II).

Project description:In the mononuclear title complex, [Cd(C(8)H(4)O(4))(C(8)H(7)N(3))(2)(H(2)O)], the Cd(II) atom is six-coordinated in a distorted octa-hedral geometry by four N atoms from two bidentate chelating 2-(1H-pyrazol-3-yl)pyridine ligands, one O atom from a benzene-1,2-dicarboxyl-ate ligand and one water mol-ecule. The mol-ecular structure features intra-molecular O-H?O and N-H?O hydrogen bonds. In the crystal structure, the complex mol-ecules are assembled into a two-dimensional supra-molecular layer parallel to (011) via O-H?O and N-H?O hydrogen bonds and ?-? stacking inter-actions between the pyridyl and pyrazole rings [centroid-centroid distances = 3.544?(2) and 3.722?(3)?Å].

| S-EPMC2983402 | biostudies-literature

catena-Poly[[aqua-(imidazole)-cadmium(II)]-?(3)-benzene-1,3-dicarboxyl-ato].

Project description:In the title compound, [Cd(C(8)H(4)O(4))(C(3)H(4)N(2))(H(2)O)](n), the Cd(II) ion is seven-coordinated by five O atoms from three crystallographically independent benzene-1,3-carboxylate ligands, one N atom from the imidazole ligand and one coordinated water mol-ecule. Neighboring Cd(II) ions are bridged by the benzene-1,3-dicarboxyl-ate ligands, forming a zigzag polymeric chain structure. These chains are further extended into a three-dimensional supra-molecular structure through O-H?O and N-H?O hydrogen bonds.

| S-EPMC3006711 | 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