Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Catena-Poly[[[diaqua-[3-(pyridin-4-yl)benzoato-κ(2)O,O']gadolinium(III)]-bis-[μ-3-(pyridin-4-yl)benzoato-κ(2)O:O']] monohydrate].

ABSTRACT: In the title coordination polymer, {[Gd(C(12)H(8)NO(2))(3)(H(2)O)(2)]·H(2)O}(n), the Gd(III) ion is ligated by one bidentate carboxyl-ate group, four monodentate bridging carboxyl-ate O atoms and two water mol-ecules. The resulting GdO(8) polyhedron approximates to a square anti-prism. The bridging ligands link the metal ions into a [100] chain, with each pair of adjacent metal ions being bridged by two ligands. Inter-chain O-H⋯O and O-H⋯N hydrogen bonds help to establish the packing.

SUBMITTER: Li DY

PROVIDER: S-EPMC3393192 | biostudies-literature | 2012 Jul

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

catena-Poly[[[diaqua-[3-(pyridin-4-yl)benzoato-κ(2)O,O']gadolinium(III)]-bis-[μ-3-(pyridin-4-yl)benzoato-κ(2)O:O']] monohydrate].

Li Dong-Ying DY Li Guo-Ting GT

Acta crystallographica. Section E, Structure reports online 20120616 Pt 7

In the title coordination polymer, {[Gd(C(12)H(8)NO(2))(3)(H(2)O)(2)]·H(2)O}(n), the Gd(III) ion is ligated by one bidentate carboxyl-ate group, four monodentate bridging carboxyl-ate O atoms and two water mol-ecules. The resulting GdO(8) polyhedron approximates to a square anti-prism. The bridging ligands link the metal ions into a [100] chain, with each pair of adjacent metal ions being bridged by two ligands. Inter-chain O-H⋯O and O-H⋯N hydrogen bonds help to establish the packing. ...[more]

PMID: 22807760

Similar Datasets

catena-Poly[[diaqua-bis-{?(2)-3,5-bis-[(pyridin-4-yl)methyl-amino]-benzoato}nickel] monohydrate].

Project description:In the title coordination polymer, {[Ni(C(19)H(17)N(4)O(2))(2)(H(2)O)(2)]·H(2)O}(n), the Ni(2+) cation is located on an inversion center and coordinated by two carboxyl-ate O atoms from two different 3,5-bis-(pyridin-4-yl-methyl-amino)-benzoate anions, two O atoms from two coordinated water mol-ecules and two N atoms from two different 3,5-bis-(pyridin-4-yl-methyl-amino)-benzoate anions, displaying a slightly distorted NiN(2)O(4) octa-hedral geometry. Each 3,5-bis-(pyridin-4-yl-methyl-amino)-benzoate anion acts as a ?(2)-bridge, linking different nickel ions into a chain along [010]. In the crystal, adjacent chains are further linked through N-H?O, O-H?O, O-H?N and C-H?O hydrogen bonds into a three-dimensional network. The coordinated water mol-ecules and a disordered water mol-ecule of hydration with 0.50 site occupancy play an important role in the formation of these hydrogen-bonding inter-actions.

| S-EPMC3201333 | biostudies-other

catena-Poly[[tetra-μ-benzoato-κ(8)O:O'-dicopper(II)]-μ-[N-(pyridin-4-yl)nicotin-amide]-κ(2)N:N'-[dibenzoato-κ(2)O-copper(II)]-μ-[N-(pyridin-4-yl)nicotin-amide]-κ(2)N:N'].

Project description:In the polymeric title compound, [Cu(3)(C(7)H(5)O(2))(6)(C(11)H(9)N(3)O)(2)](n), square-planar-coordinated Cu(II) ions on crystallographic inversion centres are bound by two monodentate benzoate anions. The resulting [Cu(benzoate)](2) fragments are joined to centrosymmetic [Cu(2)(benzoate)(4)] paddlewheel clusters [Cu⋯Cu = 2.6331 (5) Å] by means of bridging N-(pyridin-4-yl)nicotinamide (4-pna) ligands [dihedral angle between the aromatic rings = 39.18 (12)°], thereby forming [Cu(3)(benzoate)(6)(4-pna)(2)](n) coordination-polymer chains that are arranged parallel to the [30-1] crystal direction. These polymeric chains are anchored into supra-molecular layers by N-H⋯O hydrogen bonding between neighboring 4-pna ligands. These layers aggregate by crystal packing forces to afford the crystal structure of the title compound.

| S-EPMC3414118 | biostudies-literature

catena-Poly[[[diaqua-(2-fluoro-benzoato-κO,O')strontium]-μ(3)-2-fluoro-benzoato-κO:O,O':O',F] monohydrate].

Project description:In the title compound, {[Sr(C(7)H(4)FO(2))(2)(H(2)O)(2)]·H(2)O}(n), the Sr(II) atom is coordinated by six O atoms and one F atom from four 2-fluoro-benzoate ligands and two water mol-ecules, resulting in an irregular SrFO(8) coordination environment. The μ(3)-2-fluoro-benzoate ligand bridges three symmetry-related Sr(II) atoms, giving rise to a chain structure extending along [010]. The polymeric chains are connected via O-H⋯O hydrogen bonds into a two-dimensional supra-molecular structure parallel to (100).

| S-EPMC3099901 | biostudies-literature

catena-Poly[(diaqua-strontium)-bis-(μ-2-methyl-3,5-dinitro-benzoato)].

Project description:The title compound, [Sr(C(8)H(5)N(2)O(6))(2)(H(2)O)(2)](n), essentially consists of a one-dimensional polymeric network with Sr(2)O(2) rings extending along the [100] direction. The range of Sr-O bond lengths is 2.4822 (13)-2.8113 (13) Å. C-H⋯O and O-H⋯O hydrogen-bonding inter-actions stabilize the mol-ecules in the form of a two-dimensional polymeric network parallel to (001). One of the nitro groups is disordered over three sets of sites with the occupancy ratio of 0.46:0.32:0.22.

| S-EPMC3200748 | biostudies-literature

catena-Poly[[[diaqua-(tetra-methyl-ethylenediamine-κ(2) N,N')nickel(II)]-μ-sulfato-κ(2) O:O'] monohydrate].

Project description:The title compound, {[Ni(SO4)(C6H16N2)(H2O)2]·H2O} n , contains a Ni(II) atom that is coordinated nearly octa-hedrally by a chelating tetra-ethyl-enediamine (tmeda) ligand, two water mol-ecules in a cis arrangement and two O atoms of two sulfate anions in a trans arrangement. The sulfate anions act as μ2-bridging ligands leading to a chain structure of alternating NiO4N2 octa-hedra and SO4 tetra-hedra parallel to [001]. The polymeric chains are linked by O-H⋯O hydrogen bonds between coordinating water mol-ecules and sulfate anions to give double strands. There is a lattice water mol-ecule which is also involved in O-H⋯O hydrogen bonding between adjacent [Ni(SO4)(tmeda)(H2O)2] chains.

| S-EPMC3629479 | biostudies-literature

catena-Poly[[diaqua-nickel(II)]-bis-(μ-2-{[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfan-yl}acetato)].

Project description:In the title compound, [Ni(C(9)H(6)N(3)O(3)S)(2)(H(2)O)(2)](n), the Ni(II) atom, located on an inversion center, is ligated in an octa-hedral geometry by two carboxyl-ate O atoms from two 2-{[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfan-yl}acetate (L) ligands and two O atoms from water mol-ecules in the equatorial plane, and two pyridine N atoms from other two L ligands at the apical sites. Two L ligands bridge pairs of metal atoms in an anti-parallel manner, forming centrosymmetric dinuclear quasi-recta-ngular units which are linked into infinite double-stranded chains parallel to [100]. O-H⋯O hydrogen bonds between the coordinating water mol-ecules and the carboxyl-ate groups of the L ligand as well as interchain S⋯N inter-actions [2.726 (2)-3.363 (2) Å] lead to the formation of a layer structure parallel to (001).

| S-EPMC3379099 | biostudies-literature

catena-Poly[[[bis-(acetato-κ(2)O,O')aqua-cadmium]-μ-[(pyridin-3-yl)(pyridin-4-yl)methanone]-κ(2)N:N'] dihydrate].

Project description:In the title complex, {[Cd(CH(3)COO)(2)(C(11)H(8)N(2)O)(H(2)O)]·2H(2)O}(n), the Cd(II) ion adopts an O(5)N(2) penta-gonal-bipyramidal coordination geometry with four acetate O atoms and one water O atom at the equatorial sites and two pyridine N atoms at the axial sites. The (pyridin-3-yl)(pyridin-4-yl)methanone ligand acts in a μ(2)-bridging mode, linking the metal atoms, leading to an infinite chain along [-110]. O-H⋯O hydrogen bonds involving the lattice water mol-ecules connect these chains into a three-dimensional network.

| S-EPMC3379068 | biostudies-literature

catena-Poly[[diaqua-cobalt(II)]-bis-(μ-4-fluoro-benzoato-κO:O')].

Project description:The hydro-thermal reaction of CoCO(3) and 4-fluoro-benzoic acid afforded the title Co(II) complex, [Co(C(7)H(4)FO(2))(2)(H(2)O)(2)](n). The Co(II) atom is located on an inversion center and is coordinated by six O atoms from two water mol-ecules and four μ(2)-carboxyl-ate groups of 4-fluoro-benzoate anions, forming a distorted CoO(6) octa-hedron, with Co-O bond lengths in the range 2.071 (2)-2.130 (2) Å. All adjacent O-Co-O angles are in the range 84.78 (6)-95.22 (6)° and opposite angles are 180.0°. Each μ-carboxyl-ate group of the 4-fluoro-benzoate anions bridges two symmetry-related Co(II) atoms. Hydrogen-bonding inter-actions of the coordinated water mol-ecules further connect the cobalt-carboxyl-ate units, forming layers perpendicular to the a axis. The cobalt-oxygen layers are encased in a sandwich-like fashion by layers of π-stacked 4-fluoro-benzoate anions. Within these layers the benzene rings of the 4-fluoro-benzoate anions are π-stacked, with centroid-centroid distances of 3.432 (4) Å.

| S-EPMC2977626 | biostudies-literature

catena-Poly[[[diaqua-copper(II)]-μ-quinoline-2,3-dicarboxyl-ato-κ(3)N,O(2):O(3)] monohydrate].

Project description:In the title compound, {[Cu(C(11)H(5)NO(4))(H(2)O)(2)]·H(2)O}(n), the Cu(II) ion is five-coordinated by two O atoms and one N atom of two symmetry-related quinoline-2,3-dicarboxyl-ate ligands, and two water mol-ecules. The water mol-ecules occupy basal and apical positions of the square-pyramidal coordination polyhedron. Each quinoline-2,3-dicarboxyl-ate dianion bridges two adjacent Cu(II) ions, forming a polymeric chain along [010]. The chains are further connected via O-H⋯O hydrogen-bonding inter-actions and quinoline ring π-π inter-actions [centroid-centroid distance = 3.725 (4) Å], generating a three-dimensional structure. Lattice water mol-ecules participate in the crystal structure via O-H⋯O hydrogen bonds.

| S-EPMC3515140 | biostudies-literature

catena-Poly[[[aqua-[2-(6-chloro-pyridin-3-yl)acetato-κO]sodium]-di-μ-aqua] monohydrate].

Project description:The crystal structure of the title compound, {[Na(C(7)H(5)ClNO(2))(H(2)O)(3)]·H(2)O}(n), features polymeric chains along [010]. The Na(+) cation is octa-hedrally coordinated by four bridging water mol-ecules, a terminal water mol-ecule and an O atom derived from a monodentate carboxyl-ate ligand. Adjacent polyhedra share two O⋯O edges. The polymeric chains are linked into a three-dimensional network via O-H⋯O and O-H⋯N hydrogen bonds.

| S-EPMC3344329 | 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