Browse
Submit Data
Databases
API
Help

Dataset Information

14 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Catena-Poly[[[tetra-aqua-erbium(III)]-?-oxalato-?O,O:O,O] [bromidobis(pyrazine-2-carboxyl-ato-?N,O)cuprate(II)] tetra-hydrate].

ABSTRACT: In the title heterometallic complex, {[Er(C(2)O(4))(H(2)O)(4)][CuBr(C(5)H(3)N(2)O(2))(2)]·4H(2)O}(n), the Er(III) atom is eight-coordin-ated by four O atoms from two centrosymmetric oxalate ligands and four water mol-ecules, displaying a bicapped trigonal-prismatic geometry. The oxalate ligands bridge the Er atoms into a polymeric cationic chain along [110]. The Cu(II) atom is five-coordinated in a square-pyramidal geometry by two pyrazine-2-carboxyl-ate ligands and a Br atom, forming a discrete anion. The polymeric cations, complex anions and uncoordinated water mol-ecules are self-assembled into a three-dimensional supra-molecular network through O-H?N, O-H?O and O-H?Br hydrogen bonds.

SUBMITTER: Yang HF

PROVIDER: S-EPMC3007546 | biostudies-literature | 2010 Jul

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

catena-Poly[[[tetra-aqua-erbium(III)]-μ-oxalato-κO,O:O,O] [bromidobis(pyrazine-2-carboxyl-ato-κN,O)cuprate(II)] tetra-hydrate].

Yang Hui-Fu HF Xu Shi-Hai SH

Acta crystallographica. Section E, Structure reports online 20100703 Pt 8

In the title heterometallic complex, {[Er(C(2)O(4))(H(2)O)(4)][CuBr(C(5)H(3)N(2)O(2))(2)]·4H(2)O}(n), the Er(III) atom is eight-coordin-ated by four O atoms from two centrosymmetric oxalate ligands and four water mol-ecules, displaying a bicapped trigonal-prismatic geometry. The oxalate ligands bridge the Er atoms into a polymeric cationic chain along [110]. The Cu(II) atom is five-coordinated in a square-pyramidal geometry by two pyrazine-2-carboxyl-ate ligands and a Br atom, forming a discrete ...[more]

PMID: 21588122

Similar Datasets

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

catena-Poly[[octa-aqua-bis-(?(4)-benzene-1,3,5-tricarboxyl-ato)trizinc] tetra-hydrate].

Project description:In the title compound, {[Zn(3)(C(9)H(3)O(6))(2)(H(2)O)(8)]·4H(2)O}(n), there are two crystallographically independent Zn(II) ions. One presents a trigonal-bipyramidal coordination geometry defined by five O atoms [three from two carboxyl-ate groups of two benzene-1,3,5-tricarboxyl-ate (BTC) ligands and the other two deriving from three water mol-ecules], while the other lies on an inversion centre and exists in a slightly distorted octa-hedral coordination geometry defined by six O atoms (two from two carboxyl-ate groups of two BTC ligands and the others from four water mol-ecules). A three-dimensional framework is further strengthened via O-H?O hydrogen-bonding inter-actons.

| S-EPMC3089220 | biostudies-literature

catena-Poly[[[diaqua-iron(II)]-?-pyridine-2,5-dicarboxyl-ato-[tetra-aqua-iron(II)]-?-pyridine-2,5-dicarboxyl-ato] tetra-hydrate].

Project description:In the crystal structure of the title compound, {[Fe(2)(C(7)H(3)NO(4))(2)(H(2)O)(6)]·4H(2)O}(n), there are two types of coordination for the Fe(II) atoms. One Fe(II) atom is in a distorted octa-hedral N(2)O(4) environment, with two chelating rings from the pyridine-dicarboxyl-ate ligands and two O atoms from the water mol-ecules, while the other is in a distorted octa-hedral O(6) environment with two O atoms from the pyridine-dicarboxyl-ate ligands and four O atoms from the water mol-ecules. Both Fe(II) atoms lie on crystallographic centers of symmetry. The complex possesses an infinite chain structure running along the [101] direction. These chains are inter-connected by the uncoordinated water mol-ecules through O-H?O hydrogen bonds.

| S-EPMC2960407 | biostudies-literature

Hexa-aqua-nickel(II) bis-[tri-aqua-?3-oxalato-di-?-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

catena-Poly[[[aqua-(5-nitro-benzene-1,2,3-tricarboxyl-ato-?O)nickel(II)]-di-?-aqua-[diaqua-sodium]-di-?-aqua] tetra-hydrate].

Project description:In the title complex, {[NaNi(C(9)H(2)NO(8))(H(2)O)(7)]·4H(2)O}(n), the Ni(II) atom has a distorted octa-hedral coordination, defined by five O atoms from five water mol-ecules and one O atom from one 5-nitro-benzene-1,2,3-tricarboxyl-ate ligand. The Na cation is coordinated by six water O atoms in an irregular trigonal-prismatic geometry. There are seven coordinated water mol-ecules in the asymmetic unit. The Ni and Na atoms are linked by water bridges, forming infinite chains, which are connected by strong O-H?O hydrogen bonds involving the coordinated and uncoordinated water mol-ecules into a three-dimensional network.

| S-EPMC2983560 | biostudies-literature

Poly[[hemi-?(4)-oxalato-hemi-?(2)-oxalato-bis-(?(3)-pyrazine-2-carboxyl-ato)erbium(III)silver(I)] monohydrate].

Project description:The asymmetric unit of the title complex, {[AgEr(C(5)H(3)N(2)O(2))(2)(C(2)O(4))]·H(2)O}(n), contains one Er(III) atom, one Ag(I) atom, two pyrazine-2-carboxyl-ate (pyc) ligands, two half oxalate ligands (each lying on an inversion center) and one uncoordinated water mol-ecule. The Er(III) atom is coordinated by two O atoms and two N atoms from two pyc ligands, one O atom from a third pyc ligand and four O atoms from two oxalate ligands in a distorted monocapped square-anti-prismatic geometry. The Ag(I) atom is coordinated by two N atoms from two pyc ligands, one O atom from a third pyc ligand and one O atom from one oxalate ligand. The crystal structure exhibits a three-dimensional heterometallic polymeric network. O-H?O hydrogen bonding between the uncoordinated water mol-ecule and carboxyl-ate O atoms is observed.

| S-EPMC2977120 | biostudies-literature

catena-Poly[[(6-carb-oxy-pyrazine-2-carboxyl-ato)lithium]-?-aqua].

Project description:The asymmetric unit of the title compound, [Li(C(6)H(3)N(2)O(4))(H(2)O)](n), contains an Li(I) ion with a distorted trigonal-bipyramidal coordination environment. It is chelated by a singly protonated ligand mol-ecule via its heterocyclic N atom, by two O aoms, each donated by an adjacent carboxyl-ate group, and is further coordinated by a water O atom which acts as a bridge, forming a mol-ecular ribbon. A proton attached to one of the carboxyl-ate O atoms is situated on an inversion centre and forms a short centrosymmetric hydrogen bond, generating mol-ecular layers parallel to the ac plane. These layers are held together by weak O-H?O hydrogen bonds in which the coordinated water mol-ecules act as donors, whereas carboxyl-ate O atoms are acceptors.

| S-EPMC3238630 | biostudies-literature

catena-Poly[[[tetra-aqua-cadmium(II)]-?-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

catena-Poly[[tetra-aqua-?-aqua-bis-(?(4)-pyrimidine-2-carboxyl-ato)tetra-lithium] dichloride].

Project description:The asymmetric unit of the title compound, [Li(4)(C(5)H(3)N(2)O(2))(2)(H(2)O)(5)]Cl(2), contains two Li(I) cations, one with a distorted trigonal-bipyramidal and the other with a distorted tetra-hedral coordination geometry. Two symmetry-related asymmetric units constitute a building block of the structure, in which both ligand carboxyl-ate O atoms are bidentate and bridge the metal ions, forming a divalent cation. Charge balance is maintained by two chloride anions. The building blocks, bridged by Li(I) cations, form cationic ribbons with chloride anions in the space between them. The ribbons propagate in [010] and are held together by a network of weak O-H?O hydrogen bonds which operate in the space between adjacent ribbons.

| S-EPMC3515122 | biostudies-literature

Aqua-(2,2'-bipyrid-yl)(pyrazine-2,6-dicarboxyl-ato)nickel(II) 1.25-hydrate.

Project description:The asymmetric unit of the title compound, [Ni(C(6)H(2)N(2)O(4))(C(10)H(8)N(2))(H(2)O)]·1.25H(2)O, contains two independent chemically identical Ni(II) complex cations and two and a half solvent water mol-ecules. The Ni(II) ions are in slightly distorted coordination environments. In the crystal structure, inter-molecular O-H?O and weak C-H?O hydrogen bonds link cations and water mol-ecules into a three-dimensional network. One of the three uncoordinated water molecules is half-occupied.

| S-EPMC2959726 | 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