Browse
Submit Data
Databases
API
Help

Dataset Information

30 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Poly[[aqua-tris-(?-benzene-1,4-dicarboxyl-ato)tricobalt(II)] methanol monosolvate monohydrate].

ABSTRACT: The asymmetric unit of the title compound, {[Co(3)(C(8)H(4)O(4))(3)(H(2)O)]·CH(3)OH·H(2)O}(n), consists of four crystallographically independent Co cations, four benzene-1,4-dicarboxyl-ate (bdc) anions, two water and one methanol solvent mol-ecule. Two of the Co cations and two of the bdc anions are located on centres of inversion, whereas all other atoms are located in general positions. In the crystal, two Co atoms are only fourfold coordinated by three O atoms from three bdc ligands and by one O atom from one coordinated water mol-ecule, while a third Co atom is coordinated by four O atoms from four bdc ligands within a strongly distorted tetra-hedral geometry. The other two Co cations are octa-hedrally coordinated by six O atoms from six bdc anions. The Co cations are linked by the bdc anions into a three-dimensional framework. From this arrangement, cavities are formed in which additional methanol and water mol-ecules are embedded.

SUBMITTER: Zhou H

PROVIDER: S-EPMC3152069 | biostudies-literature | 2011 Jul

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Poly[[aqua-tris-(μ-benzene-1,4-dicarboxyl-ato)tricobalt(II)] methanol monosolvate monohydrate].

Zhou Hu H Chu Chao-Xia CX Li Yi-Zhi YZ

Acta crystallographica. Section E, Structure reports online 20110604 Pt 7

The asymmetric unit of the title compound, {[Co(3)(C(8)H(4)O(4))(3)(H(2)O)]·CH(3)OH·H(2)O}(n), consists of four crystallographically independent Co cations, four benzene-1,4-dicarboxyl-ate (bdc) anions, two water and one methanol solvent mol-ecule. Two of the Co cations and two of the bdc anions are located on centres of inversion, whereas all other atoms are located in general positions. In the crystal, two Co atoms are only fourfold coordinated by three O atoms from three bdc ligands and by on ...[more]

PMID: 21836846

Similar Datasets

catena-Poly[[[aqua-tris-(pyridine-?N)nickel(II)]-?-2,3,5,6-tetra-chloro-benzene-1,4-dicarboxyl-ato-?O:O] pyridine monosolvate].

Project description:The asymmetric unit of the title compound, {[Ni(C(8)Cl(4)O(4))(C(5)H(5)N)(3)(H(2)O)]·C(5)H(5)N}(n), contains two independent nickel(II) cations displaying a distorted octa-hedral coordination geometry provided by the N atoms of three pyridine mol-ecules, the O atom of a water mol-ecule, and O atoms of two monodentate ?(2)-bridging tetra-chloro-terephthalate dianions. The metal atoms are linked by the dianions into zigzag chains running parallel to [11]. The crystal packing is stabilized by O-H?N and O-H?O hydrogen bonds.

| S-EPMC3011545 | biostudies-literature

catena-Poly[[[aqua-(di-2-pyridyl-amine-?N,N)manganese(II)]-?-5-ferrocenyl-benzene-1,3-dicarboxyl-ato-?O,O:O] methanol monosolvate monohydrate].

Project description:In the title coordination polymer, {[FeMn(C(5)H(5))(C(13)H(7)O(4))(C(10)H(9)N(3))(H(2)O)]·CH(3)OH·H(2)O}(n), the Mn(II) ion has a distorted octa-hedral coordination geometry and is ligated by two N atoms from two di-2-pyridyl-amine mol-ecules, three O atoms from two 5-ferrocenyl-benzene-1,3-dicarboxyl-ate anions and one O atom from a coordinated water mol-ecule. The Mn-O distances range from 2.151?(2) to 2.5093?(19)?Å, while the Mn-N distances are 2.226?(2) and 2.248?(2)?Å. Each 5-ferrocenyl-benzene-1,5-dicarboxyl-ate anion links to two Mn(II) ions, resulting in a chain along the b axis. A three-dimensional network of N-H?O and O-H?O hydrogen bonds helps to stabilize the crystal packing.

| S-EPMC3152059 | 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[[(methanol)(?(4)-2,4,5,6-tetra-fluoro-benzene-1,3-dicarboxyl-ato)copper(II)] methanol monosolvate].

Project description:In the title compound, {[Cu(C(8)F(4)O(4))(CH(3)OH)]·CH(3)OH}(n), two Cu(II) atoms are bridged by four carboxyl-ate groups, forming the well known paddle-wheel secondary building unit (SBU) with axial methanol ligands. In each ligand, the dihedral angles between the benzene ring and the two carboxyl-ate groups are 80.43?(17) and 62.5?(4)°. Within each SBU, the four carboxyl-ate groups come from four symmetry-equivalent tetra-fluoro-isophthalate ligands. Each tetra-fluoro-isophthalate group connects two SBUs, forming a layered structure . In the crystal, O-H?O hydrogen bonds involving the free and ligated methanol mol-ecules link the mol-ecules into a three-dimensional supra-molecular network.

| S-EPMC3379103 | biostudies-literature

Poly[tris-(2,5-dimethyl-benzene-1,4--dicarboxyl-ato)bis-(pyridine)trizinc(II)].

Project description:The asymmetric unit of the title polymeric compound, [Zn(3)(C(10)H(8)O(4))(3)(C(5)H(5)N)(2)](n) or [Zn(3)(dmbdc)(3)(py)(2)](n) (dmbdc = 2,5-dimethyl-benzene-dicarboxyl-ate; py = pyridine) contains two Zn(II) ions, one of which is located on an inversion centre, one and a half 2,5-dimethyl-benzene-dicarboxyl-ate ligands and one pyridine ligand. Each ZnO(6) octa-hedron is sandwiched between two ZnO(4)N square-pyramids, forming a trinuclear zinc secondary building unit (SBU); each SBU is further linked by six 2,5-dimethyl-benzene-dicarboxyl-ate ligands with six adjacent trinuclear zinc SBU's, forming a two-dimensional layer structure with a (3,6) net. One of the three zinc ions is octa-hedrally coordinated and the other two are square-pyramidally coordinated. The coordination modes for 2,5-dimethyl-benzene-dicarboxyl-ates are bis-(bidentate) or bidentate-tridentate.

| S-EPMC2983653 | biostudies-literature

catena-Poly[[[aqua-(1,10-phenan-throline)cadmium(II)]-?-benzene-1,4-dicarboxyl-ato] benzene-1,4-dicarboxylic acid hemisolvate].

Project description:A new cadmium(II) coordination polymer, {[Cd(C(8)H(4)O(4))(C(12)H(8)N(2))(H(2)O)]·0.5C(8)H(6)O(4)}(n), has been synthesized under hydro-thermal conditions. The asymmetric unit contains one Cd(II) atom, one benzene-1,4-dicarboxyl-ate anion, one 1,10-phenanthroline ligand, one coordinated water mol-ecule and half of an uncoordinated benzene-1,4-dicaboxylic acid solvent mol-ecule. The Cd(II) atom is in the centre of a monocapped distorted octa-hedron made up of four O atoms of two chelating benzene-1,4-dicarboxyl-ate anions, one water O atom and two 1,10-phenanthroline N atoms. The metal centres are connected via bis-chelating benzene-1,4-dicarboxyl-ate anions into a zigzag chain structure along [001]. These chains are further connected by O-H?O hydrogen bonds between the water mol-ecules and adjacent carboxyl-ate O atoms. Additional O-H?O hydrogen bonding between the uncoordinated benzene-1,4-dicaboxylic acid mol-ecules along [010] consolidates the structure.

| S-EPMC2968137 | biostudies-literature

Poly[[dodeca-aqua-(?(4)-benzene-1,4-dicarboxyl-ato)(?(2)-4,4'-bipyridine-?(2)N:N')dicerium(III)] bis-(benzene-1,4-dicarboxyl-ate)].

Project description:The asymmetric unit of the title compound, {[Ce(2)(C(8)H(4)O(4))(C(10)H(8)N(2))(H(2)O)(12)](C(8)H(4)O(4))(2)}(n), consists of half a Ce(III) cation, a quarter of a coordinated benzene-1,4-dicarboxyl-ate (bdc(2-)) dianion, a quarter of a 4,4'-bipyridine (bpy) mol-ecule, three water mol-ecules and a half of an uncoordinated benzene-1,4-dicarboxyl-ate dianion. The Ce(III) ion is located on a twofold rotation axis and exhibits a distorted trigonal prism square-face tricapped coordination geometry. The coordinated and uncoordinated bdc(2-) ions and the bpy mol-ecule lie about special positions of site symmetries 2/m, m and 2/m, respectively. The Ce(III) ions are bridged by the bdc(2-) and bpy ligands, giving a sheet structure parallel to the ac plane. The uncoordinated bdc(2-) dianion exists between the sheets and links the sheets by inter-molecular O-H?O hydrogen bonds between the uncoordinated bdc(2-) and coordinated water mol-ecules. A ?-? stacking inter-action between the uncoordinated bdc(2-) dianion and the bpy ligand [centroid-centroid distance = 3.750?(4)?Å] is also observed.

| S-EPMC3344367 | biostudies-literature

Bis(8-hy-droxy-2-methyl-quinolinium) bis-(pyridine-2,6-dicarboxyl-ato)-nickelate(II) methanol monosolvate monohydrate.

Project description:In the title compound, (C(10)H(10)NO)(2)[Ni(C(7)H(3)NO(4))(2)]·CH(3)OH·H(2)O, the coordination geometry of the Ni(II) atom can be described as distorted octa-hedral. In the crystal, noncovalent inter-actions play an important role in the stabilization of the structure, involving O-H?O, N-H?O and weak C-H?O hydrogen bonds and ?-? stacking inter-actions between the pyridine rings of the pyridine-2,6-dicarboxyl-ate ligands [centroid-centroid distance = 3.7138?(15)?Å] and between the 8-hy-droxy-2-methyl-quinolinium cations [centroid-centroid distances = 3.6737?(15), 3.4434?(14), 3.6743?(15), 3.7541?(16), 3.5020?(15) and 3.7947?(15)?Å].

| S-EPMC3152105 | biostudies-literature

Bis(8-hy-droxy-2-methyl-quinolinium) bis-(pyridine-2,6-dicarboxyl-ato)cuprate(II) methanol monosolvate monohydrate.

Project description:The title compound, (C(10)H(10)NO)(2)[Cu(C(7)H(3)NO(4))(2)]·CH(3)OH·H(2)O was prepared by the reaction of copper(II) nitrate hexa-hydrate, 8-hy-droxy-2-methyl-quinoline, and pyridine-2,6-dicarb-oxy-lic acid in a 1:2:2 molar ratio in an aqueous solution. The geometry of the resulting CuN(2)O(4) coordination can be described as distorted octa-hedral. In the crystal, there are several inter-molecular O-H?O, N-H?O and C-H?O hydrogen bonds. An intra-molecular N-H?O hydrogen bond occurs in one of the cations. Considerable ?-? stacking inter-actions are also observed between the aromatic rings of the cations, with centroid-centroid distances of 3.4567?(13), 3.5342?(14), 3.6941?(14) and 3.4568?(13)?Å. These non-covalent inter-actions connect the components, forming a three-dimensional supra-molecular structure.

| S-EPMC3052026 | biostudies-literature

Piperazine-1,4-diium pyridine-2,3-dicarboxyl-ate methanol monosolvate.

Project description:The title solvated molecular salt, C(4)H(12)N(2) (2+)·C(7)H(3)NO(4) (2-)·CH(3)OH or (pipzH(2))(py-2,3-dc)·MeOH, was prepared by the reaction of pyridine-2,3-dicarb-oxy-lic acid (py-2,3-dcH(2)) and piperazine (pipz) in methanol (MeOH) as solvent. One of the two carboxylate groups of the acid fragment is nearly perpendicular to the pyridine ring and the other is almost in its plane [C-C-C-O torsion angles = -85.50?(11) and 88.07?(11)° and N-C-C-O torsion angles = -176.31?(8) and 5.41?(13)°]. In the crystal, the components are linked by O-H?O, N-H?O and C-H?O hydrogen bonds, generating a three-dimensional network.

| S-EPMC3089228 | 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