Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Poly[[aqua-?(3)-picolinato-?(2)-picolinato-dipicolinatopotassium(I)terbium(III)] 2.5-hydrate].

ABSTRACT: In the title compound, [KTb(C(6)H(4)NO(2))(4)(H(2)O)]·2.5H(2)O, each Tb(3+) centre is coordinated by four N and five O atoms from five distinct picolinate ligands in a geometry resembling a highly distorted tricapped trigonal prism. One of the ligands establishes a skew bridge between neighbouring Tb(3+) centres, leading to the formation of one-dimensional anionic polymeric chains, {[(C(6)H(4)NO(2))(4)Tb](-)}(n), running along the direction [010]. Each K(+) cation is seven-coordinated by six O atoms from one anionic polymeric chain and one water mol-ecule [K?O 2.676?(3)-3.208?(4)?Å]. The uncoordinated water mol-ecules are involved in O-H?O hydrogen bonding.

SUBMITTER: Cunha-Silva L

PROVIDER: S-EPMC2961046 | biostudies-literature | 2008 Mar

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Poly[[aqua-μ(3)-picolinato-μ(2)-picolinato-dipicolinatopotassium(I)terbium(III)] 2.5-hydrate].

Cunha-Silva Luís L Soares-Santos Paula C R PC Nogueira Helena I S HI Trindade Tito T Klinowski Jacek J Rocha João J Almeida Paz Filipe A FA

Acta crystallographica. Section E, Structure reports online 20080307 Pt 4

In the title compound, [KTb(C(6)H(4)NO(2))(4)(H(2)O)]·2.5H(2)O, each Tb(3+) centre is coordinated by four N and five O atoms from five distinct picolinate ligands in a geometry resembling a highly distorted tricapped trigonal prism. One of the ligands establishes a skew bridge between neighbouring Tb(3+) centres, leading to the formation of one-dimensional anionic polymeric chains, {[(C(6)H(4)NO(2))(4)Tb](-)}(n), running along the direction [010]. Each K(+) cation is seven-coordinated by six O a ...[more]

PMID: 21201993

Similar Datasets

catena-Poly[[aqua-bromidocopper(II)]-μ(3)-(picolinato N-oxide)].

Project description:The title complex, [CuBr(C(6)H(4)NO(3))(H(2)O)](n), exhibits a layered structure which is stabilized by inter-molecular O-H⋯O and O-H⋯Br(-) hydrogen bonds, van der Waals forces and π-π inter-actions [centroid-centroid distance = 3.747(4) Å] between the parallel pyridine rings from two neighboring layers.

| S-EPMC3051695 | biostudies-literature

Poly[[μ(2)-aqua-tetraaquahexakis(μ(4)-naph-thalene-2,6-dicarboxylato)tetra-holmium(III)] 1.75-hydrate].

Project description:In the title compound, {[Ho(4)(C(12)H(6)O(4))(6)(H(2)O)(5)]·1.75H(2)O}(n), which is isostructural with its Tb(3+)- and Eu(3+)-containing analogues, there are four crystallographically independent Ho(3+) centres, each exhibiting a highly distorted HoO(8) bicapped trigonal-prismatic coordination environment. Adjacent polyhedra are inter-connected via the carboxyl-ate groups and one μ(2)-bridging water mol-ecule, forming one-dimensional chains propagating along [100]. The naphthalene-2,6-dicarboxylate ligands further inter-connect these chains into a three-dimensional framework, which has zigzag channels housing the water mol-ecules. Two naphthalene-2,6-dicarboxylate bridging ligands have their centroids located on crystallographic centres of inversion. One water O atom has a fixed site occupancy factor of 0.75.

| S-EPMC2960446 | biostudies-literature

Poly[diaqua-μ(2)-isonicotinato-μ(2)-oxalato-terbium(III)].

Project description:In the crystal structure of the title complex, [Tb(C(6)H(4)NO(2))(C(2)O(4))(H(2)O)(2)](n), the Tb(III) cation is coordinated by four O atoms from two oxalate ligands, two O atoms from two isonicotinate ligands and two O atoms from water mol-ecules within a distorted square-anti-prismatic coordination. The Tb(III) cation, the isonicotinate anion and the two crystallographically independent water mol-ecules occupy general positions, whereas one of the two crystallographically independent oxalate anions is located on a center of inversion, and the second oxalate anion is located on a twofold rotation axis. The Tb(III) cations are linked by the oxalate and isonicotinate anions into layers, which are connected via inter-molecular hydrogen-bonding and π-π stacking [with centroid-to-centroid distances of 3.509 (2) and 3.343 (3) Å] inter-actions into a three-dimensional network.

| S-EPMC2968018 | biostudies-literature

Poly[diaqua-μ(2)-isonicotinato-μ(2)-oxalato-terbium(III)].

Project description:In the crystal structure of the title complex, [Tb(C(6)H(4)NO(2))(C(2)O(4))(H(2)O)(2)](n), the Tb(III) ion is coordinated by two O atoms from two isonicotinate (inic) anions, four O atoms of two oxalate anions, and two water mol-ecules, displaying a distorted square-antiprismatic geometry. The Tb(III) ion, the inic anion and the water mol-ecules occupy general positions. One of the two crystallographically independent oxalate anions is located on a center of inversion, whereas the second is located on the twofold rotation axis. The carboxyl-ate groups of the inic and oxalate anions link the terbium metal centres into layers. These layers are connected by O-H⋯O and N-H⋯O hydrogen bonding into a three-dimensional network.

| S-EPMC2968019 | biostudies-literature

Poly[[tetra-aqua-tetra-kis-[μ(3)-5-(pyridine-4-carboxamido)-isophthalato]cobalt(II)dierbium(III)] tetra-hydrate].

Project description:In the centrosymmetric polymeric title compound, {[CoEr(2)(C(14)H(8)N(2)O(5))(4)(H(2)O)(4)]·4H(2)O}(n), the Er(III) cation has a coordination number of eight and is surrounded by seven carboxyl-ate O atoms from four 5-(pyridine-4-carboxamido)-isophthalate (L) ligands and one water mol-ecule, forming a distorted square-anti-prismatic arrangement. The Co(II) cation is located on an inversion center and is coordinated by two pyridine N atoms, two carboxyl-ate O atoms and two water mol-ecules in a distorted octa-hedral geometry. The asymmetric unit contains two anionic L ligands. One bridges two Er(III) cations and one Co(II) cation through two carboxyl-ate groups and one pyridine N atom, while the other bridges two Er(III) cations and one Co(II) cation through two carboxyl-ate groups. Extensive O-H⋯O, O-H⋯N and N-H⋯O hydrogen-bonding inter-actions are present in the crystal, involving all uncoordinated water mol-ecules and the uncoordinated pyridine N atom of one of the ligands bonded to an adjacent coordinated water mol-ecule. The title compound is isotypic with the gadolinium analogue.

| S-EPMC3246915 | biostudies-literature

Poly[[tetra-aqua-tetra-kis-[μ(3)-5-(pyridine-4-carboxamido)-isophthalato]-cobalt(II)-diholmium(III)] tetra-hydrate].

Project description:In the centrosymmetric polymeric title compound, {[CoHo(2)(C(14)H(8)N(2)O(5))(4)(H(2)O)(4)]·4H(2)O}(n), the Ho(III) ion is coordinated by one water mol-ecule and four 5-(pyridine-4-carboxamido)-isophthalate (L) ligands in a distorted square-anti-prismatic arrangement. The Co(II) ion, located on an inversion center, is coordinated by two pyridine N atoms, two carboxyl-ate O atoms and two water mol-ecules in a distorted octa-hedral geometry. One L ligand bridges two Ho ions and one Co ion through two carboxyl-ate groups and one pyridine N atom. The other L ligand bridges two Ho ions and one Co ion through two carboxyl-ate groups, while the uncoordinated pyridine N atom accepts a hydrogen bond from an adjacent coordinated water mol-ecule. Extensive O-H⋯O, N-H⋯O and O-H⋯N hydrogen bonding is present in the crystal.

| S-EPMC3246991 | biostudies-literature

Poly[[hexa-aqua-tris-[μ(2)-2,5-dihy-droxy-1,4-benzoquinona-to(2-)]diholmium(III)] octa-deca-hydrate].

Project description:In the polymeric title compound, {[Ho(2)(C(6)H(2)O(4))(3)(H(2)O)(6)]·18H(2)O}(n), the Ho(III) ion is nine-coordinated by six O atoms derived from three bidentate 2,5-dihy-droxy-1,4-benzoquinonate (DHBQ(2-)) ligands and three O atoms from three water mol-ecules. The Ho(III) ions are connected via three ligands, resulting in the formation of a two-dimensional honeycomb layer parallel to the ab plane. The layer is racemic in which Δ- and Λ-coordination geometries around Ho(III) ions are alternately arranged. The asymmetric unit comprises a third of a Ho(III) ion, located on a threefold axis, one-half of a DHBQ(2-) ion, located on a centre of inversion, one coordinated water mol-ecule and three uncoordinated water mol-ecules.

| S-EPMC2983139 | biostudies-literature

catena-Poly[[[tetra-aqua-cadmium(II)]-μ-4,4'-bipyridine] fumarate tetra-hydrate].

Project description:In the crystal structure of the title compound, [Cd(C(10)H(8)N(2))(H(2)O)(4)](C(4)H(2)O(4))·4H(2)O, the Cd(II) atom, on an inversion centre, is six-coordinated by four O atoms from four water mol-ecules and two N atoms from 4,4'-bpy mol-ecules in a distorted octa-hedral coordination geometry. Weak C-H⋯O inter-actions between uncoordinated carboxyl-ate O atoms of fumaric acid and water mol-ecules contribute to the crystal packing stability.

| S-EPMC2915124 | biostudies-literature

Hexa-aqua-nickel(II) bis-[tri-aqua-μ<sub>3</sub>-oxalato-di-μ-oxalato-bariumchromate(III)] tetra-hydrate.

Project description:The title compound, [Ni(H2O)6][BaCr(C2O4)3(H2O)3]2·4H2O, was obtained in the form of single crystals from the slow evaporation of an aqueous mixture of {Ba6(H2O)17[Cr(C2O4)3]4}·7H2O and NiSO4·6H2O in the molar ratio 1:4. Its structure is made up of corrugated anionic (101) layers of formula [BaCr(C2O4)3(H2O)3] n n - that leave voids accommodating the charge-compensating cations, [Ni(H2O)6]2+ (point group symmetry ), as well as the water mol-ecules of crystallization. The anionic layers are built from the connection of barium and chromium atoms through bridging oxalate ligands. The CrIII atom is hexa-coordinated by O atoms of three oxalate ligands while the BaII atom is tenfold coordinated by three O atoms of water mol-ecules and seven O atoms of four oxalate ligands. Each NiII atom sits on an inversion center and is coordinated by six water mol-ecules. One of the uncoordinated water mol-ecules is disordered over two sites, with a refined occupancy ratio of 0.51 (5):0.49 (5). In the crystal, extensive O-H⋯O hydrogen-bonding inter-actions link the anionic layers, the charge-balancing cations as well as the water mol-ecules of crystallization into a three-dimensional supra-molecular network.

| S-EPMC7405579 | biostudies-literature

Tris[6-(3,5-dimethyl-1H-pyrazol-1-yl)picolinato]gadolinium(III) methanol hemisolvate 2.5-hydrate.

Project description:In the title complex, [Gd(C(11)H(10)N(3)O(2))(3)]·0.5CH(4)O·2.5H(2)O, the Gd atom is coordinated by six N atoms and three O atoms derived from three tridentate monoanionic 6-(3,5-dimethyl-1H-pyrazol-1-yl)picolinate ligands. The mol-ecules are linked together via hydrogen bonds involving the solvent water and methanol mol-ecules.

| S-EPMC2960314 | biostudies-other

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