Browse
Submit Data
Databases
API
Help

Dataset Information

27 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Poly[[diaqua-(?(8)-benzene-1,2,4,5-tetra-carboxyl-ato)calciumzinc] monohydrate].

ABSTRACT: In the title complex, {[CaZn(C(10)H(2)O(8))(H(2)O)(2)]·H(2)O}(n), the Zn(II) ion is coordinated by four O atoms from four benzene-1,2,4,5-tetra-carboxyl-ate anions in a distorted tetra-hedral geometry. The Ca(II) ion is eight-coordinated by six O atoms from four benzene-1,2,4,5-tetra-carboxyl-ate anions and by two water mol-ecules in a distorted square-anti-prismatic geometry. The Ca(II) and Zn(II) ions and the lattice water mol-ecule are located on twofold rotation axes; the centroid of the benzene-1,2,4,5-tetra-carboxyl-ate anion is located on a centre of inversion. The ?(8)-bridging mode of the anion results in the formation of a three-dimensional structure with channels extending along [100] in which lattice water mol-ecules are situated. Inter-molecular O-H?O hydrogen bonds involving the coordinating and lattice water mol-ecules as donors and the carboxyl-ate O atoms and lattice water mol-ecules as acceptors are present in the structure.

SUBMITTER: Jia YY

PROVIDER: S-EPMC3435579 | biostudies-literature | 2012 Sep

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Poly[[diaqua-(μ(8)-benzene-1,2,4,5-tetra-carboxyl-ato)calciumzinc] monohydrate].

Jia Yong-Yan YY Chen Bo B Yuan Yu-Xia YX

Acta crystallographica. Section E, Structure reports online 20120804 Pt 9

In the title complex, {[CaZn(C(10)H(2)O(8))(H(2)O)(2)]·H(2)O}(n), the Zn(II) ion is coordinated by four O atoms from four benzene-1,2,4,5-tetra-carboxyl-ate anions in a distorted tetra-hedral geometry. The Ca(II) ion is eight-coordinated by six O atoms from four benzene-1,2,4,5-tetra-carboxyl-ate anions and by two water mol-ecules in a distorted square-anti-prismatic geometry. The Ca(II) and Zn(II) ions and the lattice water mol-ecule are located on twofold rotation axes; the centroid of the ben ...[more]

PMID: 22969452

Similar Datasets

Poly[[hexa-μ-aqua-diaqua-bis-(μ₄-dihydrogen benzene-1,2,4,5-tetra-carboxyl-ato)magnesiumdisodium] dihydrate].

Project description:The asymmetric unit of the title compound, {[MgNa₂(C₁₀H₄O₈)₂(H₂O)₈]·2H₂O}(n), contains one octa-hedrally coordin-ated Mg(II) atom (site symmetry 2/m), one octahedrally coordinated Na(I) atom (site symmetry 2) and one half of the dihydrogen benzene-1,2,4,5-tetra-carboxyl-ate (btec) ligand, the second half of the ligand being generated by a twofold rotation axis. The basic framework of the title compound features infinite (-Na-Na-Mg-)(n) chains along [10-1] with the metal cations bridged by the coordinating water molecules. The chains are isolated from each other by μ₄-bridging btec ligands, which form inter-molecular O-H⋯O hydrogen bonds to uncoordinated water mol-ecules and the coordinated water mol-ecules of a neighbouring chain. In each btec ligand, there are also intramolecular O-H⋯O hydrogen bonds.

| S-EPMC3393174 | biostudies-literature

Poly[(μ-benzene-1,2,4,5-tetra-carboxyl-ato)tetra-silver(I)].

Project description:In the centrosymmetric title compound, [Ag(4)(C(10)H(2)O(8))](n), the benzene ring has irregular bond lengths but remains planar (r.m.s. deviation 0.0002 Å). The Ag-O bond lengths are in the range 2.153 (3)-2.615 (4) Å. The carboxyl-ate groups are oriented at dihedral angles of 26.4 (5) and 74.9 (4)° to the benzene ring. The coordination behaviour of each carboxyl-ate O atom is different: in one carboxylate, the O atoms are coordinated to a single and two Ag atoms; in the other carboxylate, the O atoms are coordinated to two and three Ag atoms. Non-classical inter-molecular C-H⋯O hydrogen bonding is present in the crystal structure. The title compound forms a three-dimensional polymeric network due to the coordination of the Ag atoms.

| S-EPMC2977622 | biostudies-literature

Poly[(μ(6)-benzene-1,2,4,5-tetra-carboxyl-ato)bis-(1,10-phenanthroline-κN,N')dimanganese(II)].

Project description:The title polymeric compound, [Mn(2)(C(10)H(2)O(8))(C(12)H(8)N(2))(2)](n), was obtained by the reaction of manganese(II) chloride tetra-hydrate with benzene-1,2,4,5-tetra-carboxylic acid (H(4)bta) in aqueous solution. Each Mn(2+) ion is coordinated in a distorted octa-hedral geometry by two N atoms from one 1,10-phenanthroline ligand and four O atoms [Mn-O = 2.116 (2)-2.237 (2) Å] from three bta(4-) ligands, which also act as bridging groups between the Mn(2+) ions.

| S-EPMC2961681 | biostudies-literature

Poly[diaqua-(?(4)-benzene-1,2,4,5-tetra-carboxyl-ato)[?(2)-1,4-bis-(3-pyridyl-meth-yl)piperazine]dizinc(II)].

Project description:In the title compound, [Zn(2)(C(10)H(2)O(8))(C(16)H(20)N(4))(H(2)O)(2)](n), the Zn(II) atom is in a distorted tetra-hedral environment, being coordinated by one N atom from a 1,4-bis-(3-pyridyl-meth-yl)piperazine (3-bpmp) ligand, two O atoms from two carboxyl-ate groups of the pyromellitate anion and one water mol-ecule. The distortion of the tetrahedral coordination may be ascribed to the hydrogen bonds between the carboxyl-ate groups and the adjacent water mol-ecules. Each Zn(II) atom links to three organic ligands and each pyromellitate ligand coordinates to four Zn(II) atoms, forming a (3,4)-connected infinite three-dimensional framework. O-H?N inter-actions also occur.

| S-EPMC3120526 | biostudies-literature

catena-Poly[[[dipyridine-copper(II)]-μ-2,3,5,6-tetra-methyl-benzene-1,4-di-carboxyl-ato] monohydrate].

Project description:In the title complex, {[Cu(C(12)H(12)O(4))(C(5)H(5)N)(2)]·H(2)O}(n), the Cu(II) ion lies on an inversion center and is coordinated by two O atoms from two 2,3,5,6-tetra-methyl-benzene-1,4-dicarboxyl-ate (TBDC) ligands and two N atoms from two pyridine ligands in a slightly distorted square-planar environment. The TBDC ligands act as bridging ligands, forming chains along [110]. These chains are further linked into a two-dimensional network via inter-molecular O-H⋯O hydrogen bonds. The solvent water mol-ecule lies on a twofold rotation axis.

| S-EPMC2983187 | biostudies-literature

Poly[?-aqua-aqua-(?-benzene-1,2,4,5-tetra-carboxyl-ato)gadolinate(III)potassium(I)].

Project description:In the title compound, [KGd(C(10)H(2)O(8))(H(2)O)(2)](n), the Gd(3+) ion is nine-coordinated by eight O atoms from five individual benzene-1,2,4,5-tetra-carboxyl-ate (btec) ligands and one water mol-ecule, and the K(+) ion is eight-coordinated by six O atoms from five individual btec ligands and two water mol-ecules. In the crystal, the btec half-mol-ecules are completed by crystallographic inversion symmetry. GdO(9) and KO(8) polyhedra are connected, forming layers in the ab plane, which are further inter-connected by ?(8)- or ?(12)-bridging btec ligands, forming a three-dimensional structure.

| S-EPMC3120476 | biostudies-literature

Poly[[hexa-aqua-sesqui(?-benzene-1,2,4,5-tetra-carboxyl-ato)dicopper(II)disodium] monohydrate].

Project description:In the title compound, {[Cu2Na2(C10H2O8)1.5(H2O)6]·H2O} n , the Cu(2+) ion is hexa-coordinated by five O atoms from benzene-1,2,4,5-tetra-carboxyl-ate (btec(4-)) ligands and one water mol-ecule. The Na(+) ion is also hexa-coordinated, by four O atoms from btec(4-) ligands and two water mol-ecules. One of the two btec(4-) mol-ecules sits on a crystallographic inversion centre. CuO6 and NaO6 octa-hedra are connected, forming bi-dimensional layers. These layers, which extend parallel to the ac plane, are further inter-connected by ?10- or ?11-bridging btec(4-) ligands and by O-H?O hydrogen bonds, involving both btec(4-) ligands and water mol-ecules, forming a three-dimensional network.

| S-EPMC4158492 | biostudies-other

catena-Poly[bis-(4-amino-pyridinium) [[tetra-aqua-nickel(II)]-?-benzene-1,2,4,5-tetra-carboxyl-ato] dihydrate].

Project description:The asymmetric unit of the title compound, {(C(5)H(7)N(2))(2)[Ni(C(10)H(2)O(8))(H(2)O)(4)]·2H(2)O}(n), contains an Ni(II) atom, two water mol-ecules of coordination, one half of a benzene-1,2,4,5-tetra-carboxyl-ate (btec) anionic ligand, one 4-amino-pyridinium cation (papy) and an uncoordinated water mol-ecule. The metal center lies on an inversion center and adopts an octa-hedral geometry with the carboxyl-ate groups tilted out of the mean plane formed by the btec. In the crystal, mol-ecules are linked into one-dimensional coordination polymers running along the ac diagonal. The crystal structure is consolidated by N-H?O and O-H?O hydrogen bonds.

| S-EPMC2970276 | biostudies-literature

catena-Poly[[[?-aqua-penta-aqua-dizinc(II)]-?(4)-benzene-1,2,4,5-tetra-carboxyl-ato] dihydrate].

Project description:The asymmetric unit of the title compound, {[Zn(2)(C(10)H(2)O(8))(H(2)O)(6)]·2H(2)O}(n), contains two distinct Zn atoms joined by a bridging water molecule and two bridging carboxyl-ate groups belonging to distinct halves of benzene-1,2,4,5-tetra-carboxyl-ate (tbec) tetra-anionic ligands, both lying on crystallographic inversion centres. The structure of this new isopolymorphic one-dimensional coordination polymer features asymmetric bimetallic octa-hedral knots. O-H?O hydrogen bonds between water molecules and carboxylate O atoms help to consolidate the crystal packing.

| S-EPMC2977204 | biostudies-literature

Poly[[diaqua-bis-(μ(3)-3-carboxyl-ato-4-hy-droxy-benzene-sulfonato)-tri-μ(2)-pyrazine-tetra-silver(I)] dihydrate].

Project description:The title coordination polymer, {[Ag(4)(C(7)H(4)O(6)S)(2)(C(4)H(4)N(2))(3)(H(2)O)(2)]·2H(2)O}(n), contains two independent Ag(I) ions. One Ag(I) ion is coordinated by one O atom from a 3-carboxyl-ato-4-hy-droxy-benzene-sulfonate (L) ligand, two N atoms from two pyrazine ligands and a water mol-ecule. The other Ag(I) ion is coordinated by two O atoms from two L ligands and one N atom from a pyrazine ligand. One of the pyrazine ligands lies on an inversion center. The L and pyrazine ligands link the Ag(I) ions into polymeric layers parallel to the ac plane. The layers are connected by inter-molecular O-H⋯O hydrogen bonds. An intra-molecular O-H⋯O hydrogen bond is also present in the L ligand.

| S-EPMC3246968 | 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