Browse
Submit Data
Databases
API
Help

Dataset Information

17 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Poly[[hexa-aqua-(?(2)-oxalato-?O,O:O,O)bis-(?(3)-pyridine-2,4-dicarboxyl-ato-?N,O:O:O)dilanthanum(III)] monohydrate].

ABSTRACT: In the polymeric title compound, {[La(2)(C(7)H(3)NO(4))(2)(C(2)O(4))(H(2)O)(6)]·H(2)O}(n), the La(3+) cation is nine-coordinated in a distorted LaNO(8) tricapped trigonal-prismatic geometry formed by three pyridinedicarboxylate anions, one oxalate anion and three water mol-ecules. The oxalate anion is located on an inversion center. The oxalate and pyridine-dicarboxyl-ate anions bridge the La(3+) cations, forming a two-dimensional polymeric complex parallel to (010). Inter-molecular O-H?O hydrogen bonding and weak C-H?O hydrogen bonding is present in the crystal structure and ?-? stacking [centroid-centroid distance = 3.571?(3)?Å] is observed between parallel pyridine rings of adjacent mol-ecules. The uncoordinated water molecule shows an occupancy of 0.5.

SUBMITTER: Shen FM

PROVIDER: S-EPMC3238643 | biostudies-literature | 2011 Dec

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Poly[[hexa-aqua-(μ(2)-oxalato-κO,O:O,O)bis-(μ(3)-pyridine-2,4-dicarboxyl-ato-κN,O:O:O)dilanthanum(III)] monohydrate].

Shen Fwu Ming FM Lush Shie Fu SF

Acta crystallographica. Section E, Structure reports online 20111109 Pt 12

In the polymeric title compound, {[La(2)(C(7)H(3)NO(4))(2)(C(2)O(4))(H(2)O)(6)]·H(2)O}(n), the La(3+) cation is nine-coordinated in a distorted LaNO(8) tricapped trigonal-prismatic geometry formed by three pyridinedicarboxylate anions, one oxalate anion and three water mol-ecules. The oxalate anion is located on an inversion center. The oxalate and pyridine-dicarboxyl-ate anions bridge the La(3+) cations, forming a two-dimensional polymeric complex parallel to (010). Inter-molecular O-H⋯O hydrog ...[more]

PMID: 22199534

Similar Datasets

Poly[[hexa-aqua-(?(2)-oxalato-?O,O:O,O)bis(?(3)-pyridine-2,4-dicarboxyl-ato-?N,O:O:O)dicerium(III)] monohydrate].

Project description:In the polymeric title compound, {[Ce(2)(C(7)H(3)NO(4))(2)(C(2)O(4))(H(2)O)(6)]·H(2)O}(n), the Ce(3+) cation is nine-coordinated in a distorted CeNO(8) tricapped trigonal-prismatic geometry, formed by three pyridine-2,4-dicarboxyl-ate anions, one oxalate anion and three water mol-ecules. The mid-point of the oxalate anion is located on an inversion center. The oxalate and pyridine-2,4-dicarboxyl-ate anions bridge the Ce(3+) cations, forming a two-dimensional polymeric complex parallel to (010). Inter-molecular classical O-H?O hydrogen bonding and weak C-H?O hydrogen bonding are present in the crystal structure and ?-? stacking [centroid-centroid distance = 3.558?(2)?Å] is observed between parallel pyridine rings of adjacent mol-ecules. The uncoordinated water mol-ecule shows an occupancy of 0.5.

| S-EPMC3254299 | biostudies-literature

Poly[hexa-aqua-hexa-kis-(?-pyridine-2,4-dicarboxyl-ato)tricopper(II)dieuropium(III)].

Project description:The asymmetric unit of the title heterometallic coordination polymer, [Cu(3)Eu(2)(C(7)H(3)NO(4))(6)(H(2)O)(6)](n), contains one Eu(III) and two Cu(II) atoms, three pyridine-2,4-dicarboxylate (pdc)(2-) anions and three water molecules. One Cu(II) atom is located on an inversion center and is N,O-chelated by two pdc(2-) anions in the equatorial plane and further coordinated by two carboxyl-ate O atoms from another two pdc anions in the axial positions, with an elongated octa-hedral geometry [Cu-O = 2.409?(3)?Å in the axial direction]; the other Cu atom is N,O-chelated by two pdc anions in the coordination basal plane and coordinated by a carboxyl O atom at the apical position with a distorted square-pyramidal geometry [Cu-O = 2.359?(3)?Å in the apical direction]. The Eu atom is eight-coordinated with a distorted square-anti-prismatic geometry formed by five carboxyl-ate O atoms from five pdc anions and three water mol-ecules. The carboxyl-ate anions bridge adjacent Eu and Cu atoms, forming the coordination polymer. Inter- and intra-molecular O-H?O hydrogen bonding occurs in the structure. ?-? stacking further consolidates the crystal structure, the centroid-centroid distance between parallel pyridine rings being 3.367?(2)?Å.

| S-EPMC3011568 | biostudies-literature

Poly[?(2)-aqua-aqua-?(4)-pyridine-2,4-dicarboxyl-ato-strontium].

Project description:In the title polymeric complex, [Sr(C(7)H(3)NO(4))(H(2)O)(2)](n), the Sr(II) atom is eight-coordinated by four O atoms and one N atom of four pyridine-2,4-dicarboxyl-ate (py-2,4-dc) ligands and three O atoms of three coordinated water mol-ecules in a dodeca-hedral geometry. These units are connected via the carboxyl-ate O atoms and water mol-ecules, building polymeric layers parallel to (100). In the crystal structure, non-covalent inter-actions consisting of O-H?O hydrogen bonds and ?-? stacking inter-actions [centroid-centroid distances = 3.862?(17) and 3.749?(17)?Å] connect the various components, forming a three-dimensional structure.

| S-EPMC2977487 | biostudies-literature

Poly[[tetra-aqua-bis-(μ(3)-pyridine-2,6-dicarboxyl-ato)(μ(2)-pyridine-2,6-dicarboxyl-ato)dilanthanum(III)] dihydrate].

Project description:There are two independent La(III) cations in the polymeric title compound, {[La(2)(C(7)H(3)NO(4))(3)(H(2)O)(4)]·2H(2)O}(n). One is nine-coordinated in an LaN(2)O(7) tricapped trigonal-prismatic geometry formed by three pyridine-2,6-dicarboxyl-ate anions and two water mol-ecules, while the other is ten-coordinated in an LaNO(9) bicapped square-anti-prismatic geometry formed by four pyridine-2,6-dicarboxyl-ate anions and two water mol-ecules. The two La(III) cations are separated by a non-bonding distance of 5.026 (3) Å. The pyridine-2,6-dicarboxyl-ate anions bridge the La(III) cations, forming a three-dimensional polymeric complex. The crystal structure contains extensive classical O-H⋯O hydrogen bonds and weak inter-molecular C-H⋯O hydrogen bonds. The crystal structure is further consolidated by π-π stacking between pyridine rings, the shortest centroid-centroid distance between parallel pyridine rings being 3.700 (5) Å.

| S-EPMC3200968 | biostudies-literature

Poly[piperazinediium [[aqua-bismuth-ate(III)]-di-?-pyridine-2,6-dicarboxyl-ato-bis-muthate(III)-di-?-pyridine-2,6-dicarboxyl-ato] monohydrate].

Project description:The title compound, {(C(4)H(12)N(2))[Bi(2)(C(7)H(3)NO(4))(4)(H(2)O)]·H(2)O}(n) or {(pipzH(2))[Bi(2)(pydc)(4)(H(2)O)]·H(2)O}(n), where pydcH(2) is pyridine-2,6-dicarboxylic acid and pipz is piperazine, was obtained by reaction of Bi(NO(3))(3)·5H(2)O with (pipzH(2))(pydc-H)(2)·3H(2)O in a 1:2 molar ratio in aqueous solution. There are two independent Bi(III) atoms in the structure, one of which is eight-coordinate with a distorted bicapped trigonal-prismatic geometry, and another which is nine-coordinate with a distorted tricapped trigonal-prismatic geometry. The carboxyl-ate groups of the (pydc)(2-) ligands link dinuclear [Bi(2)(C(7)H(3)NO(4))(4)(H(2)O)](2-) units into one-dimensional coordin-ation polymers. The pipzH(2) (2+) cations (site symmetry ) and non-coordinated water mol-ecules lie between these polymers, forming N-H?O and O-H?O hydrogen bonds to the O atoms of the carboxylate groups.

| S-EPMC2960170 | biostudies-literature

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[?(6)-pyridine-2,4-dicarboxyl-ato-barium].

Project description:In the title complex, [Ba(C(7)H(3)NO(4))](n), the coordination geometry around the Ba(II) ion can be described as a distorted bicapped trigonal-prismatic BaNO(7) arrangement. The pyridine-2,4-dicarb-oxy-lic acid ligands exhibit a new coordination mode. Adjacent metal centers are linked by the O atoms of the pyridine-2,4-dicarb-oxy-lic acid ligands, and then form a three-dimensional supra-molecular polymeric framework.

| S-EPMC3006690 | biostudies-literature

Poly[[octa-aqua-tetra-kis-(?(3)-pyridine-2,5-dicarboxyl-ato)copper(II)diytterbium(III)] monohydrate].

Project description:The asymmetric unit of the title heterometallic polymeric coordination compound, {[CuYb(2)(C(7)H(3)NO(4))(4)(H(2)O)(8)]·H(2)O}(n), contains one Cu(II) cation located on an inversion center, a Yb(III) cation, two pyridine-2,5-dicarboxyl-ate (pda) anions, four coordination water mol-ecules a disordered lattice water molecule, which is half-occupied and is located close to an inversion center. The Cu(II) cation is N,O-chelated by two pda anions in the coordination basal plane and further coordinated by two carboxyl O atoms at the apical positions, with an elongated octa-hedral geometry. The Yb(III) atom is eight-coordinated in a distorted square-anti-prismatic geometry formed by two carboxyl-ate O atoms from two pda anions, and is N,O-chelated by one pda anion and four coordinated water mol-ecules. The pda anions bridge adjacent Yb and Cu cations, forming a three-dimensional polymeric structure. The crystal structure features extensive O-H?O hydrogen bonds. ?-? stacking is observed between parallel pyridine rings, the centroid-centroid distance being 3.843?(4)?Å.

| S-EPMC3089069 | biostudies-literature

Poly[di-?(2)-aqua-?(5)-(pyridine-2,6-dicarboxyl-ato)-?(3)-(pyridine-2,6-dicarboxyl-ato)-cobalt(II)disodium].

Project description:In the title compound, [CoNa(2)(C(7)H(3)NO(4))(2)(H(2)O)(2)](n), the Co(II) atom is coordinated by two pyridine N atoms and four carboxyl-ate O atoms from two doubly deprotonated pyridine-2,6-dicarboxyl-ate ligands in a distorted octa-hedral geometry. One Na(+) cation is coordinated by three carboxyl-ate O atoms and two water mol-ecules and the other is coordinated by five carboxyl-ate O atoms and two water mol-ecules in an irregular geometry. The bis-(pyridine-2,6-dicarboxyl-ato)cobalt complex units are connected by Na(+) cations and bridging water mol-ecules into a three-dimensional coordination network. O-H?O hydrogen bonds are formed between the water mol-ecules and the carboxyl-ate O atoms.

| S-EPMC3238695 | biostudies-literature

catena-Poly[diammonium [diaqua-bis(pyridine-2,4-dicarboxyl-ato-?N,O)cuprate(II)] [[diaqua-copper(II)]-?-pyridine-2,4-dicarboxyl-ato-?N,O:O-[tetra-aqua-cadmium(II)]-?-pyridine-2,4-dicarboxyl-ato-?O:N,O] hexa-hydrate].

Project description:The title mixed-metal complex, {(NH(4))(2)[Cu(C(7)H(3)NO(4))(2)(H(2)O)(2)][CdCu(C(7)H(3)NO(4))(2)(H(2)O)(6)]·6H(2)O}(n), contains one octa-hedrally coordinated Cd(II) center and two octa-hedrally coordinated Cu(II) centers, each lying on an inversion center. The two Cu(II) atoms are each coordinated by two O atoms and two N atoms from two 2,4-pydc (2,4-H(2)pydc = pyridine-2,4-dicarboxylic acid) ligands in the equatorial plane and two water mol-ecules at the axial sites, thus producing two crystallographically independent [Cu(2,4-pydc)(2)(H(2)O)(2)](2-) metalloligands. One metalloligand exists as a discrete anion and the other connects the Cd(H(2)O)(4) units, forming a neutral chain. O-H?O and N-H?O hydrogen bonds connects the polymeric chains, complex anions, ammonium cations and uncoordinated water mol-ecules into a three-dimensional supra-molecular network.

| S-EPMC2971796 | biostudies-other

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