Browse
Submit Data
Databases
API
Help

Dataset Information

21 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Tetra-kis(?(2)-ferrocene-carboxyl-ato-?O:O')bis-[(methanol-?O)copper(II)] methanol disolvate.

ABSTRACT: The complex mol-ecule of the title compound, [Cu(2)Fe(4)(C(5)H(5))(4)(C(6)H(4)O(2))(4)(CH(3)OH)(2)]·2CH(3)OH, lies about an inversion centre and contains two centrosymetrically related Cu(II) atoms bridged by four O:O'-bidentante ferrocene-carboxyl-ate anions, leading to a dimeric tetra-bridged unit with a paddle-wheel geometry. The Cu(II) atom has a distorted square-pyramidal coordination environment with four O atoms from four ferrocene-carboxyl-ate ligands in basal positions and an O atom from a methanol mol-ecule in an apical position. One of the two crystallographically independent ferrocenyl groups has a staggered conformation, while the other is eclipsed. The mol-ecules are connected into a chain along the b axis by O-H?O hydrogen bonds involving coordinated and uncoordinated methanol mol-ecules and the O atom from a ferrocene-carboxyl-ate unit.

SUBMITTER: Artetxe B

PROVIDER: S-EPMC3238738 | biostudies-literature | 2011 Dec

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Tetra-kis(μ(2)-ferrocene-carboxyl-ato-κO:O')bis-[(methanol-κO)copper(II)] methanol disolvate.

Artetxe Beñat B Vitoria Pablo P Pache Aroa A Reinoso Santiago S Gutiérrez-Zorrilla Juan M JM

Acta crystallographica. Section E, Structure reports online 20111125 Pt 12

The complex mol-ecule of the title compound, [Cu(2)Fe(4)(C(5)H(5))(4)(C(6)H(4)O(2))(4)(CH(3)OH)(2)]·2CH(3)OH, lies about an inversion centre and contains two centrosymetrically related Cu(II) atoms bridged by four O:O'-bidentante ferrocene-carboxyl-ate anions, leading to a dimeric tetra-bridged unit with a paddle-wheel geometry. The Cu(II) atom has a distorted square-pyramidal coordination environment with four O atoms from four ferrocene-carboxyl-ate ligands in basal positions and an O atom fro ...[more]

PMID: 22199615

Similar Datasets

Tetra-kis(?-2-phenyl-quinoline-4-carboxyl-ato-?(2)O:O')bis-[(methanol-?O)copper(II)].

Project description:The title complex, [Cu(2)(C(16)H(10)NO(2))(4)(CH(3)OH)(2)], consists of centrosymmetric wheel-shaped dinuclear neutral mol-ecules in which each Cu(II) atom is coordinated in a slightly distorted square-pyramidal geometry by four O atoms of carboxyl-ate groups from different ligands at the basal plane and an O atom of a methanol mol-ecule at the axial position. In the crystal, the dinuclear complex mol-ecules are linked into one-dimensional supra-molecular columns parallel to the b axis by O-H?N hydrogen bonds and ?-? stacking inter-actions [centroid-centroid distance = 3.7259?(11)?Å].

| S-EPMC3470168 | biostudies-literature

Bis(?-ferrocene-carboxyl-ato)bis-[aqua--bis(ferrocene-carboxyl-ato)methano-l-erbium(III)] methanol disolvate.

Project description:In the centrosymmetric title coordination compound, [Er(2){Fe(C(5)H(5))(C(6)H(4)O(2))}(6)(CH(3)OH)(2)(H(2)O)(2)]·2CH(3)OH, the two Er(III) ions are bridged by two ferrocene-carboxyl-ate anions as asymmetrically bridging ligands, leading to dimeric cores. The Er(III) ion has a distorted dodeca-hedral coordination with six coordinating O atoms derived from the ferrocene-carboxyl-ate ligands and two coordinated O atoms from one water mol-ecule and one methanol mol-ecule. The asymmetric unit comprises a half of the complex mol-ecule and a methanol solvent mol-ecule. Intra-molecular O-H?O and C-H?O inter-actions occur. In the crystal, mol-ecules are linked by inter-molecular O-H?O hydrogen bonds and C-H?O as well as C-H?? inter-actions.

| S-EPMC3254279 | biostudies-other

Bis(ferrocene-carboxyl-ato-?O)bis-(2-pyridyl-methanol-?N,O)cobalt(II).

Project description:The title complex mol-ecule, [Fe(2)Co(C(5)H(5))(2)(C(6)H(4)O(2))(2)(C(6)H(7)NO)(2)], has a crystallographic imposed centre of symmetry. The Co(II) atom displays a distorted octa-hedral coordination geometry, provided by the O atoms of two monodentate ferrocene-carboxyl-ate anions and by the N and O atoms of two 2-pyridyl-methanol mol-ecule. The mol-ecular conformation is stabilized by intra-molecular C-H?O hydrogen bonds.

| S-EPMC3007041 | biostudies-literature

Hexa-?2-chlorido-?4-oxido-tetra-kis[(morpholine-?N)copper(II)] methanol disolvate.

Project description:In the title solvate, [Cu4(?2-Cl)6(?4-O)(C4H9NO)4]·2CH3OH, each Cu(2+) ion in the tetra-nuclear complex has a trigonal-bipyramidal coordination arising from three bridging chloride ions in equatorial positions and the central ?4-O(2-) ion and morpholine N atom in axial positions. The morpholine rings adopt chair conformations, with the N-Cu bonds in equatorial orientations. In the crystal, the components are linked by N-H?O and O-H?O and O-H?Cl hydrogen bonds, which generate a three-dimensional network. One methanol mol-ecule is disordered over two sets of sites in a 0.642?(9):0.358?(9) ratio.

| S-EPMC4120606 | biostudies-literature

Bis(?(3)-pyrimidine-4-carboxyl-ato)bis-(?(2)-pyrimidine-4-carboxyl-ato)tetra-kis-(aqua-lithium).

Project description:The asymmetric unit of the title compound, [Li(4)(C(5)H(3)N(2)O(2))(4)(H(2)O)(4)], contains two symmetry-independent Li(I) ions, two symmetry-independent ligands and two symmetry-independent coordinated water mol-ecules. They form a dinuclear unit in which the two Li(I) ions are bridged by two carboxyl-ate O atoms from the two ligands. Two dinuclear units related by an inversion centre form the tetra-meric mol-ecule. One of the Li(I) ions shows a distorted tetra-hedral coordination geometry, the other a distorted trigonal-bipyramidal environment. The tetra-mers are held together by hydrogen bonds in which coordinated water mol-ecules act as donors, and the carboxyl-ate O atoms act as acceptors. A hydrogen bond between coordinated water molecule as donor and a ring N atom as acceptor is also observed.

| S-EPMC3414128 | biostudies-literature

Tetra-kis(?-2-methyl-benzoato-?O:O')bis-[(methanol-?O)copper(II)].

Project description:In the title compound, [Cu(2)(C(8)H(7)O(2))(4)(CH(3)OH)(2)], the Cu-O bond distances are in the range 1.943?(2)-2.149?(2)?Å within a sligthly distorted square-pyramidal coordination. The Cu?Cu separation is 2.5912?(4)?Å. In the crystal, the mol-ecules are linked into polymeric chains propagating in [001] by inter-molecular O-H?O hydrogen bonds and C-H?? inter-actions.

| S-EPMC2979172 | biostudies-literature

Bis(4-carb-oxy-pyridine-2-carboxyl-ato-?N,O)copper(II) dimethyl sulfoxide disolvate.

Project description:In the title complex, [Cu(C(7)H(4)NO(4))(2)]·2C(2)H(6)OS, the Cu(II) atom is situated on an inversion centre and is N,O-chelated by two monoanionic 4-carb-oxy-pyridine-2-carboxyl-ate ligands in a slightly distorted square-planar coordination geometry. The dimethyl sulfoxide solvent mol-ecules and Cu(II) complex mol-ecules are linked by O-H?O hydrogen bonding. In addition, C-H?O contacts and ?-? inter-actions [centroid-centroid distance = 3.590?(1)?Å] occur.

| S-EPMC3051791 | biostudies-literature

Tetra-kis(1,10-phenanthroline)bis-(?-pyridine-2,6-dicarboxyl-ato)(pyridine-2,6-di-carboxyl-ato)dicopper(II)terbium(III) nitrate tetra-hydrate.

Project description:The asymmetric unit of the title compound, [Cu(2)Tb(C(7)H(3)NO(4))(3)(C(12)H(8)N(2))(4)]NO(3)·4H(2)O, consists of one-half of the C(2)-symmetric trinuclear coordination cation, one-half of the C(2)-symmetric nitrate anion and two water mol-ecules. In the coordination cation, the Cu(II) atom is coordinated by four N atoms from two 1,10-phenanthroline ligands and two O atoms from a bridging-chelating carboxyl-ate group of the pyridine-2,6-dicarboxyl-ate anion, completing a distorted N(4)O(2) octa-hedral coordination environment. The Tb(III) atom, located on a twofold rotation axis, is nine-coordinated by three tridentate pyridine-2,6-dicarboxyl-ate anions forming an N(3)O(6) donor set. The intra-molecular Cu?Tb distance of 5.0592?(11)?Å indicates weak inter-actions between the Cu(II) and Tb(III) atoms. The coordination cations, nitrate anions and water mol-ecules are connected via O-H?O hydrogen bonds into layers parallel to the (001) plane. Moreover, there are extensive ?-? stacking inter-actions [centroid-centroid distances = 4.332?(7) and 3.878?(5)?Å] between the phenanthroline ligands and between phenanthroline and pyridine-2,6-dicarboxyl-ate ligands.

| S-EPMC3414140 | biostudies-literature

Tetra-aqua-bis-(1H-benzimidazole-5,6-di-carboxyl-ato-?N)cobalt(II) dimethyl-formamide disolvate dihydrate.

Project description:In the mononuclear title compound, [Co(C(9)H(4)N(2)O(4))(2)(H(2)O)(4)]·2C(3)H(7)NO·2H(2)O, the Co(II) atom, which lies on a center of inversion, is coordinated by four water mol-ecules and two N atoms from two two symmetry-related 1H-benzimidazole-5,6-dicarboxyl-ate ligands in a distorted octa-hedral geometry. The packing is governed by inter-molecular O-H?O and N-H?O hydrogen-bonding inter-actions.

| S-EPMC2971142 | biostudies-literature

cyclo-Tetra-kis(μ-3-acetyl-4-methyl-1H-pyrazole-5-carboxyl-ato-κN,O:N,O)tetra-kis[aqua-copper(II)] tetra-deca-hydrate.

Project description:The title compound, [Cu(4)(C(7)H(6)N(2)O(3))(4)(H(2)O)(4)]·14H(2)O, a tetra-nuclear [2 × 2] grid-type complex with S4 symmetry, contains four Cu(II) atoms which are bridged by four pyrazole-carboxyl-ate ligand anions and are additionally bonded to a water molecule. Each Cu(II) atom is coordinated by two O atoms of the carboxyl-ate and acetyl groups, two pyrazole N atoms of doubly deprotonated 3-acetyl-4-methyl-1H-pyrazole-5-carb-oxy-lic acid and one O atom of a water mol-ecule. The geometry at each Cu(II) atom is distorted square-pyramidal, with the two N and two O atoms in the equatorial plane and O atoms in the axial positions. O-H⋯O hydrogen-bonding interactions additionally stabilize the structure. One of the uncoordinated water molecules shows half-occupancy.

| S-EPMC3200935 | 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