Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Poly[bis-(μ(4)-acetato-κO:O:O':O')bis-(μ(3)-acetato-κO:O:O)(μ(2)-acetato-κO:O')(μ(2)-acetic acid-κO:O')di-μ-aqua-copper(II)tris-odium].

ABSTRACT: In the title compound, [CuNa(3)(CH(3)CO(2))(5)(CH(3)COOH)(H(2)O)(2)](n), the Cu(II) atom lies on an inversion center and is coordinated by four O atoms from four acetate ligands, leading to a square-planar geometry. One Na(I) atom, lying on an inversion center, is coordinated by four O atoms from four acetate ligands and two bridging water mol-ecules in a distorted octa-hedral geometry. The other Na(I) atom is coordinated by five O atoms from five acetate ligands and a bridging water mol-ecule. A hy-droxy H atom lies on a twofold rotation axis and is shared by two acetate ligands. The crystal packing exhibits a polymeric layer parallel to (100), which is further stablized by intra-layer O-H⋯O hydrogen bonds. The layers are linked by inter-layer O-H⋯O hydrogen bonds.

SUBMITTER: Jiang XY

PROVIDER: S-EPMC2983341 | biostudies-literature | 2010 Sep

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Poly[bis-(μ(4)-acetato-κO:O:O':O')bis-(μ(3)-acetato-κO:O:O)(μ(2)-acetato-κO:O')(μ(2)-acetic acid-κO:O')di-μ-aqua-copper(II)tris-odium].

Jiang Xiang-Yu XY Yue Xi-Gui XG

Acta crystallographica. Section E, Structure reports online 20100911 Pt 10

In the title compound, [CuNa(3)(CH(3)CO(2))(5)(CH(3)COOH)(H(2)O)(2)](n), the Cu(II) atom lies on an inversion center and is coordinated by four O atoms from four acetate ligands, leading to a square-planar geometry. One Na(I) atom, lying on an inversion center, is coordinated by four O atoms from four acetate ligands and two bridging water mol-ecules in a distorted octa-hedral geometry. The other Na(I) atom is coordinated by five O atoms from five acetate ligands and a bridging water mol-ecule. ...[more]

PMID: 21587394

Similar Datasets

Di-μ-acetato-bis-[(acetato-κO,O')bis-(iso-nicotinamide-κN)copper(II)].

Project description:The title centrosymmetric bimetallic complex, [Cu(2)(C(2)H(3)O(2))(4)(C(6)H(6)N(2)O)(4)], is composed of two copper(II) cations, four acetate anions and four isonicotinamide (INA) ligands. The asymmetric unit contains one copper cation to which two acetate units bind asymmetrically; one of the Cu-O distances is rather long [2.740 (2) Å], almost at the limit of coordination. These Cu-O bonds define an equatorial plane to which the Cu-N bonds to the INA ligands are almost perpendicular, the Cu-N vectors subtending angles of 2.4 (1) and 2.3 (1)° to the normal to the plane. The metal coordination geometry can be described as a slightly distorted trigonal bipyramid if the extremely weak Cu-O bond is disregarded, or as a highly distorted square bipyramid if it is not. The double acetate bridge between the copper ions is not coplanar with the CuO(4) equatorial planes, the dihedral angle between the (O-C-O)(2) and O-Cu-O groups being 34.3 (1)°, resulting in a sofa-like conformation for the 8-member bridging loop. In the crystal, N-H⋯O hydrogen bonds occur, some of which generate a head-to tail-linkage between INA units, giving raise to chains along [101]; the remaining ones make inter-chain contacts, defining a three-dimensional network. There are in addition a number of C-H⋯O bonds involving aromatic H atoms. Probably due to steric hindrance, the aromatic rings are not involved in significant π⋯π inter-actions.

| S-EPMC2983640 | biostudies-literature

catena-Poly[[bis-(acetato-κO)aqua-copper(II)]-μ-5-(pyridin-3-yl)pyrimidine-κN:N].

Project description:In the title compound, [Cu(CH(3)CO(2))(2)(C(9)H(7)N(3))(H(2)O)](n), the Cu(II) ion is penta-coordinated in a square-pyramidal geometry. The N atoms of the two chelating symmetry-related 5-(pyridin-3-yl)pyrimidine ligands and the O atoms of the two monodentate acetate anions are nearly coplanar, with a mean deviation from the least-squares plane of 0.157 (2) Å and the Cu(II) ion is displaced by 0.050 (3) Å from this plane towards the apical water O atom. Bridging through the bis-monodentate 5-(pyridin-3-yl)pyrimidine ligand forms a one-dimensional coordination polymer extending parallel to [010]. In the crystal, O-H⋯O hydrogen bonds link the mol-ecules into a two-dimensional supra-molecular structure parallel to (100). The crystal studied was an inversion twin with a 0.57 (3):0.43 (3) domain ratio.

| S-EPMC3254350 | biostudies-literature

Hexa-μ(2)-acetato-κO:O'-μ(3)-oxido-tris-[aqua-chromium(III)] nitrate acetic acid solvate.

Project description:In the crystal structure of the title salt, [Cr(3)(C(2)H(3)O(2))(6)O(H(2)O)(3)]NO(3)·CH(3)CO(2)H, the trinuclear [Cr(3)(CH(3)CO(2))(6)O(H(2)O)(3)] cluster cation has an oxide O atom that is connected to three water-coordinated Cr(III) atoms, the three metal atoms forming the points of an equilateral triangle. Each of the six acetate carboxyl-ate groups bridges a Cr-O-Cr fragment. The cluster cation inter-acts with the nitrate counter-ion and solvent mol-ecules through O-H⋯O hydrogen bonds, forming a three-dimensional hydrogen-bonded network.

| S-EPMC2959480 | 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

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

Project description:In the heteronuclear coordination polymer, {[CuNa(C(9)H(2)NO(8))(H(2)O)(7)]·4H(2)O}(n), the Cu(II) atom is coordinated by six O atoms from five water mol-ecules and one 5-nitro-benzene-1,2,3-tricarboxyl-ate ligand in a slightly distorted octa-hedral geometry. The Na(+) cation is surrounded by six water mol-ecules in an irregular trigonal-prismatic geometry. The Cu and Na atoms are connected by water bridges, forming an infinite chain. O-H⋯O hydrogen bonds involving the coordinated and uncoordinated water mol-ecules connect the chains into a three-dimensional network.

| S-EPMC2979819 | biostudies-literature

Di-μ-nicotinamide-κO:N;κN:O-bis-[aqua-bis-(4-meth-oxy-benzoato-κO)copper(II)].

Project description:The asymmetric unit of the centrosymmetric dinuclear title compound, [Cu(2)(C(8)H(7)O(3))(4)(C(6)H(6)N(2)O)(2)(H(2)O)(2)], contains one half of the complex mol-ecule. Each Cu(II) atom is five-coordinated by one N atom from one bridging nicotinamide ligand and one O atom from another symmetry-related bridging nicotinamide ligand, two O atoms from two 4-meth-oxy-benzoate ligands, and one water mol-ecule, forming a distorted square-pyramidal geometry. Inter-molecular O-H⋯O and N-H⋯O hydrogen bonds link the mol-ecules into layers parallel to (01). π-π inter-actions, indicated by short inter-molecular distances of 3.801 (1) Å between the centroids of the benzene rings and 3.653 (1) Å between the centroids of the pyridine rings, further stabilize the structure.

| S-EPMC3006745 | biostudies-literature

Poly[[(μ(2)-acetato-κO,O':O')aqua-bis-(μ(3)-isonicotinato-κO:O':N)samarium(III)silver(I)] perchlorate].

Project description:The title compound, {[AgSm(C(6)H(4)NO(2))(2)(CH(3)CO(2))(H(2)O)]ClO(4)}(n), is a three-dimensional heterobimetallic complex constructed from a repeating dimeric unit. Only half of the dimeric moiety is found in the asymmetric unit; the unit cell is completed by crystallographic inversion symmetry. The Sm(III) ion is eight-coordinated by four O atoms of four different isonicotinate ligands, three O atoms of two different acetate ligands, and one O atom of a water mol-ecule. The two-coordinate Ag(I) ion is bonded to two N atoms of two different isonicotinate anions, thereby connecting the disamarium units. In addition, the isonicotinate ligands also act as bridging ligands, generating a three-dimensional network. The coordinated water mol-ecules link the carboxyl-ate group and acetate ligands by O-H⋯O hydrogen bonding. Another O-H⋯O hydrogen bond is observed in the crystal structure. The perchlorate ion is disordered over two sites with site-occupancy factors of 0.560 (11) and 0.440 (11), whereas the methyl group of the acetate ligand is disordered over two sites with site-occupancy factors of 0.53 (5) and 0.47 (5).

| S-EPMC3212139 | biostudies-literature

catena-Poly[[di-aqua-bis-(4-formyl-benzoato-κO (1))copper(II)]-μ-pyrazine-κ(2) N:N'].

Project description:In the title polymeric compound, [Cu(C8H5O3)2(C4H4N2)(H2O)2] n , the Cu(II) atom is located on a twofold rotation axis and has a slightly distorted octa-hedral coordination sphere. In the equatorial plane, it is coordinated by two carboxyl-ate O atoms of two symmetry-related monodentate formyl-benzoate anions and by two N atoms of the bridging pyrazine ligand, which is bis-ected by the twofold rotation axis. The axial positions are occupied by two O atoms of the coordinating water mol-ecules. In the formyl-benzoate anion, the carboxyl-ate group is twisted away from the attached benzene ring by 6.2 (2)°, while the benzene and pyrazine rings are oriented at a dihedral angle of 68.91 (8)°. The pyrazine ligands bridge the Cu(II) cations, forming polymeric chains running along the b-axis direction. Strong intra-molecular O-H⋯O hydrogen bonds link the water mol-ecules to the carboxyl-ate O atoms. In the crystal, O-Hwater⋯Owater hydrogen bonds link adjacent chains into layers parallel to the bc plane. The layers are linked via C-Hpyrazine⋯Oform-yl hydrogen bonds, forming a three-dimensional network. There are also weak C-H⋯π inter-actions present.

| S-EPMC3914040 | biostudies-literature

Di-μ-glutarato-κO:O-bis-[aqua-(1,10-phenanthroline-κN,N')copper(II)].

Project description:In the centrosymmetric dinuclear title complex, [Cu(2)(C(5)H(6)O(4))(2)(C(12)H(18)N(2))(2)(H(2)O)(2)], the Cu(II) atom displays a dis-torted square-pyramidal coordination environment with the basal plane occupied by two phenanthroline N atoms and two O atoms from different glutarate dianions while a water mol-ecule is located at the apical position. Of the two water H atoms, one is engaged in an intra-molecular hydrogen bond with a free oxygen of the dianion whereas the second is engaged in an inter-molecular hydrogen bond, building a corrugated layer parallel to (100). These layers are further connected through π-π stacking inter-actions involving symmetry-related phenanthroline rings [centroid-centroid distance = 3.5599 (17) and 3.5617 (18) Å], building a three dimensionnal network. C-H⋯π inter-actions involving the phenanthroline ring system are also observed.

| S-EPMC3099891 | biostudies-literature

Tetra-μ-acetato-κO:O'-bis-[(3,5-di-methyl-1H-pyrazole-κN)-copper(II)].

Project description:The dinuclear centrosymmetric title compound, [Cu(2)(CH(3)CO(2))(4)(C(5)H(8)N(2))(2)], has a distorted square-pyramidal coordination geometry around each Cu(II) atom in which four O atoms from the bridging acetate ligands form the basal plane while two N atoms from the pyrazole ligands occupy the apical positions. The crystal has two half mol-ecules in the asymmetric unit with a Cu⋯Cu distance of 2.6762 (4) Å. Disorder was found for two O atoms and two C atoms of one acetate ligand and refined with occupancies of 0.265 (7) and 0.735 (7). The crystal also features mol-ecules linked through two N-H⋯O hydrogen bonds resulting in one-dimensional chains extending along the crystallographic b axis.

| S-EPMC3200851 | 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