Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Poly[[tetra-aqua-tris-(?(3)-hexane-1,6-di-carboxyl-ato)diterbium(III)] 0.25-hydrate].

ABSTRACT: In the title terbium coordination polymer, {[Tb(2)(C(6)H(8)O(4))(3)(H(2)O)(4)]·0.25H(2)O}(n), the Tb(III) atom is nine-coordinated, forming a TbO(9) polyhedra. Furthermore, two symmetric TbO(9) polyhedra share their edges, forming Tb(2)O(16) dimers, which are linked by adipate bridges into a layered structure. Inter-molecular O-H?O hydrogen bonds link these layers into a three-dimensional network. One of the C atoms of the adipate ligand is disordered over two positions with site-occupancy factors of 0.622?(9) and 0.378?(9). The structure also contains a disordered mol-ecule of water of hydration, lying close to a special position, with partial occupancy.

SUBMITTER: Li FF

PROVIDER: S-EPMC3099756 | biostudies-literature | 2011 Apr

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Poly[[tetra-aqua-tris-(μ(3)-hexane-1,6-di-carboxyl-ato)diterbium(III)] 0.25-hydrate].

Li Fei-Fei FF Zhang Hui-Ju HJ Zhang Li-Na LN

Acta crystallographica. Section E, Structure reports online 20110309 Pt 4

In the title terbium coordination polymer, {[Tb(2)(C(6)H(8)O(4))(3)(H(2)O)(4)]·0.25H(2)O}(n), the Tb(III) atom is nine-coordinated, forming a TbO(9) polyhedra. Furthermore, two symmetric TbO(9) polyhedra share their edges, forming Tb(2)O(16) dimers, which are linked by adipate bridges into a layered structure. Inter-molecular O-H⋯O hydrogen bonds link these layers into a three-dimensional network. One of the C atoms of the adipate ligand is disordered over two positions with site-occupancy facto ...[more]

PMID: 21753944

Similar Datasets

Poly[[penta-aqua-(?(4)-pyridine-2,4,6-tri-carboxyl-ato)(?(3)-pyridine-2,4,6-tri-carboxyl-ato)diterbium(III)] mono-hydrate].

Project description:The three-dimensional title coordination polymer, {[Tb(2)(C(8)H(2)NO(6))(2)(H(2)O)(5)]·H(2)O}(n), was hydro-thermally synthesized by reacting the corresponding rare-earth salt with pyridine-2,4,6-tricarb-oxy-lic acid (H(3)ptc). There are two independent Tb(III) atoms in the structure, one of which is nine-coordinated, forming a monocapped NO(8) square-anti-prism and the other is eight-coordinated exhibiting a 4,4-bicapped NO(7) trigonal-prismatic environment. The complex units are inter-connected through the ptc(3-) anions acting in different coordination modes, resulting in a three-dimensional coordin-ation polymer. The crystal structure features extensive O-H?O hydrogen bonds.

| S-EPMC3414173 | biostudies-literature

Poly[[tetra-aqua-bis-(?(3)-5-carboxybenzene-1,2,4-tri-carboxyl-ato)tricadmium] tetra-hydrate].

Project description:There are three independent Cd(II) ions in the title complex, {[Cd(3)(C(10)H(3)O(8))(2)(H(2)O)(4)]·4H(2)O}(n), one of which is coordinated by four O atoms from three 5-carboxybenzene-1,2,4-tri-carboxyl-ate ligands and by two water mol-ecules in a distorted octa-hedral geometry. The second Cd(II) ion is coordinated by five O atoms from four 5-carboxybenzene-1,2,4-tri-carboxyl-ate ligands and by one water mol-ecule also in a distorted octa-hedral geometry while the third Cd(II) ion is coordinated by five O atoms from three 5-carboxybenzene-1,2,4-tri-carboxyl-ate ligands and by one water mol-ecule in a highly distorted octa-hedral geometry. The 5-carboxybenzene-1,2,4-tri-carboxyl-ate ligands bridge the Cd(II) ions, resulting in the formation of a three-dimensional structure. Intra- and inter-molecular O-H?O hydrogen bonds are present throughout the three-dimensional structure.

| S-EPMC3379128 | biostudies-literature

Tetra-aqua-bis-(6-chloro-pyridine-3-carboxyl-ato-?O)cobalt(II) tetra-hydrate.

Project description:In the title compound, [Co(C(6)H(3)ClNO(2))(2)(H(2)O)(4)]·4H(2)O, the Co(II) cation is located on an inversion center and is coordinated by four water mol-ecules and two 6-chloro-pyridine-3-carboxyl-ate anions in a slightly distorted octa-hedral geometry. In the crystal, complex mol-ecules and lattice water mol-ecules are linked by O-H?O and O-H?N hydrogen bonds into a three-dimensional network.

| S-EPMC3515139 | biostudies-literature

catena-Poly[hemi(hexane-1,6-diammonium) [[aqua-dibromido-manganese(II)]-μ-pyridine-2-carboxyl-ato]].

Project description:The asymmetric unit of the title compound, {(C(6)H(18)N(2))(0.5)[MnBr(2)(C(6)H(4)NO(2))(H(2)O)]}(n), contains the repeat unit of the complex anion and one-half of a hexane-1,6-diammonium cation that is located on a twofold rotation axis. In the anionic polymer, the Mn(2+) ions are bridged by the pyridine-carboxyl-ate (pic) anion ligand, forming a chain structure along the c axis. The Mn(2+) ion is six-coordinated in a distorted octa-hedral environment by one N atom of the pyridine ring, two O atoms of the two carboxyl-ate groups, one O atom of the water mol-ecule and two Br atoms. The compound displays inter-molecular N-H⋯O, N-H⋯Br, O-H⋯Br and O-H⋯O hydrogen bonding. There may also be inter-molecular π-π inter-actions between adjacent pyridine rings, with a centroid-centroid distance of 3.992 (4) Å.

| S-EPMC2969818 | biostudies-literature

Tris(3-amino-pyrazine-2-carboxyl-ato-?N,O)diaqua-erbium(III) tetra-hydrate.

Project description:The water-coordinated Er(III) atom in the title compound, [Er(C(5)H(4)N(3)O(2))(3)(H(2)O)(2)]·4H(2)O, is N,O-chelated by three 3-amino-pyrazine-2-carboxyl-ate ions and has a square-anti-prismatic geometry. The mononuclear mol-ecule inter-acts with the solvent water mol-ecules to generate a three-dimensional hydrogen-bonded network.

| S-EPMC3200703 | biostudies-literature

Octa-aqua-bis(μ(2)-1H-pyrazole-3,5-di-carboxyl-ato)tricopper(II) tetra-hydrate.

Project description:In the trinucler Cu(II) complex mol-ecule of the title compound, [Cu(3)(C(5)HN(2)O(4))(2)(H(2)O)(8)]·4H(2)O, the central Cu(II) atom is located on an inversion centre and is coordinated in a distorted octa-hedral geometry. The equatorial sites are occupied by two N and two O atoms from two pyrazole-3,5-dicarboxyl-ate ligands and the axial positions are occupied by two water mol-ecules. The two other symmetry-related Cu(II) atoms are penta-coordinated and assume a square-pyramidal geometry. In the crystal structure, coordinated and uncoordinated water mol-ecules and carboxyl-ate O atoms are linked by O-H⋯O hydrogen bonds.

| S-EPMC2979837 | biostudies-literature

Poly[[tetra-aqua-tetra-kis-[?3-5-(pyridine-4-carboxamido)-isophthalato]nickel(II)diterbium(III)] tetra-hydrate].

Project description:In the title compound, {[NiTb2(C14H8N2O5)4(H2O)4]·4H2O} n , the Tb(III) ion is coordinated by one water mol-ecule and seven O atoms from four 5-(pyridine-4-carboxamido)-isophthalate (L) ligands in a distorted square-anti-prismatic arrangement, while the Ni(II) ion, lying on an inversion center, is six-coordinated in an octa-hedral geometry by two pyridine N atoms, two carboxyl-ate O atoms and two water mol-ecules. One L ligand bridges two Tb(III) ions and one Ni(II) ion through two carboxyl-ate groups and one pyridine N atom. The other L ligand bridges two Tb(III) ions and one Ni(II) ion through two carboxyl-ate groups, while the uncoordinating pyridine N atom is hydrogen bonded to an adjacent coordinating water mol-ecule. Extensive O-H?O, N-H?O and O-H?N hydrogen bonds play an important role in stabilizing the crystal structure.

| S-EPMC3772404 | biostudies-literature

Bis-(μ-pyridine-2,3-dicarboxyl-ato)bis-[aqua-(3-carb-oxy-pyridine-2-carboxyl-ato)indium(III)] tetra-hydrate.

Project description:In the binuclear centrosymmetric title compound, [In(2)(C(7)H(3)NO(4))(2)(C(7)H(4)NO(4))(2)(H(2)O)(2)]·4H(2)O, which contains both pyridine-2,3-dicarboxyl-ate and 3-carb-oxy-pyridine-2-carboxyl-ate ligands, the In(III) atom is six-coordinated in a distorted octa-hedral geometry. One pyridine ligand is N,O-chelated while the other is N,O-chelated and at the same time bridging to the other via the second carboxyl group. In the crystal, an extensive O-H⋯O hydrogen-bonding network, involving the coordinated and lattice water mol-ecules and the carboxyl groups of the ligands, together with C-H⋯O and π-π inter-actions [centroid-centroid distance = 3.793 (1) Å], leads to the formation of a three-dimensional structure.

| S-EPMC3254334 | biostudies-literature

Poly[tetra-aqua-(?(8)-butane-1,2,3,4-tetra-carboxyl-ato)distrontium].

Project description:In the title compound, [Sr(2)(C(8)H(6)O(8))(H(2)O)(4))](n), the Sr(II) ion is coordinated by six O atoms of four symmetry-related ligands and two water mol-ecules in a distorted bicapped trigonal-prismatic environment. The butane-1,2,3,4-tetra-carboxyl-ate ligands lie on inversion centers and bridge Sr(II) ions, forming a three-dimensional network. Within the three-dimensional structure, there are O-H?O hydrogen bonds involving the water mol-ecules and carboxyl-ate O atoms.

| S-EPMC3238625 | biostudies-literature

Poly[diammonium [(?(4)-butane-1,2,3,4-tetra-carboxyl-ato)zincate] tetra-hydrate].

Project description:In the title compound, {(NH(4))(2)[Zn(C(8)H(6)O(8))]·4H(2)O}(n), the asymmetric unit contains one ammonium cation, half of a butane-1,2,3,4-tetra-carboxyl-ate anion, one Zn(2+) cation and two water mol-ecules. The butane-1,2,3,4-tetra-carboxyl-ate ligand is located about an inversion centre at the mid-point of the central C-C bond. The Zn(2+) cation is situated on a twofold rotation axis and is surrounded by four O atoms from four symmetry-related butane-1,2,3,4-tetra-carboxyl-ate anions in a distorted tetra-hedral environment. In turn, each anion coordinates to four Zn(2+) cations. The bridging mode of the anions leads to a three-dimensional framework structure with channels extending along [110] and [010] in which the ammonium cations and the water mol-ecules are located. N-H?O and O-H?O hydrogen bonding between the cations and water mol-ecules and the uncoordinating O atoms of the carboxyl-ate groups consolidates the crystal packing.

| S-EPMC3470150 | 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