Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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.

SUBMITTER: Liu J

PROVIDER: S-EPMC3254279 | biostudies-other | 2012 Jan

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

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

Liu Jianmin J Li Yuanyuan Y Li Dacheng D

Acta crystallographica. Section E, Structure reports online 20111203 Pt 1

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 compris ...[more]

PMID: 22259358

Similar Datasets

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

Project description: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.

| S-EPMC3238738 | biostudies-literature

Bis(ferrocene-carboxyl-ato-κO)bis-(2-pyridyl-methanol-κN,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

Bis(?-adamantane-1,3-dicarboxyl-ato-?O,O:O,O)bis-[aqua-(3-carboxy-adam-antane-1-carboxyl-ato-?O)(1,10-phen-an-throline-?N,N')erbium(III)] dihydrate.

Project description:The asymmetric unit of the binuclear centrosymmetric title compound, [Er(2)(C(12)H(14)O(4))(2)(C(12)H(15)O(4))(2)(C(12)H(8)N(2))(2)(H(2)O)(2)]·2H(2)O, contains one Er(III) atom, one coordinated water mol-ecule, one 1,10-phenanthroline (phen) ligand, two differently coordinated adamantane-1,3-dicarboxyl-ate (H(2)L) ligands and one lattice water mol-ecule. The Er(III) ion is eight-coordinated by four O atoms from bridging L(2-), one O atom from HL(-), one O atom from the coordinated water and two N atoms from a phen ligand. Extensive O-H?O hydrogen-bonding inter-actions result in the formation of chains which are further linked into a layer-like network by ?-? stacking inter-actions centroid-centroid distance = 3.611?(3)?Å] between adjacent phen ligands belonging to neighbouring chains. The carboxy group of the HL(-) ligand is equally disordered over two positions.

| S-EPMC3152128 | 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

Bis(triethyl-ammonium) bis-(μ-pyrazine-2,3-dithiol-ato)bis-(pyrazine-2,3-dithio-lato)diferrate(III) methanol disolvate.

Project description:In the title compound, (C(6)H(16)N)(2)[Fe(2)(C(4)H(2)N(2)S(2))(4)]·2CH(4)O, the [Fe(III)(pdt)(2)](-) anion (pdt is pyrazine-2,3-dithiol-ate) forms a centrosymmetric dimer supported by two Fe(III)-S bonds [Fe-S = 2.4787 (4) Å]. In the crystal structure, dimers form a one-dimensional stack along the b axis via π-π stacking inter-actions, the inter-planar separation between adjacent dimers being 3.51 (2) Å. The methanol solvent mol-ecule is involved in two hydrogen bonds in which the hydroxyl group acts as a hydrogen-bond donor to the N atom of a pdt ligand and the O atom acts as an acceptor for the NH group of the triethyl-ammonium cation.

| S-EPMC2967914 | biostudies-literature

Bis-(μ-pyridine-2,3-dicarboxyl-ato)bis-[aqua-(3-carb-oxy-pyridine-2-carboxyl-ato)indium(III)] tetra-hydrate.

Project description:In the binuclear centrosymmetric title compound, [In(2)(C(7)H(3)NO(4))(2)(C(7)H(4)NO(4))(2)(H(2)O)(2)]·4H(2)O, which contains both pyridine-2,3-dicarboxyl-ate and 3-carb-oxy-pyridine-2-carboxyl-ate ligands, the In(III) atom is six-coordinated in a distorted octa-hedral geometry. One pyridine ligand is N,O-chelated while the other is N,O-chelated and at the same time bridging to the other via the second carboxyl group. In the crystal, an extensive O-H⋯O hydrogen-bonding network, involving the coordinated and lattice water mol-ecules and the carboxyl groups of the ligands, together with C-H⋯O and π-π inter-actions [centroid-centroid distance = 3.793 (1) Å], leads to the formation of a three-dimensional structure.

| S-EPMC3254334 | 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

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

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[[nona-aqua-bis-(?-5-hy-droxy-benzene-1,3-di-carboxyl-ato)(5-hy-droxy-benzene-1,3-di-carboxyl-ato)dicerium(III)] hexa-hydrate].

Project description:In the title coordination polymer, {[Ce2(C8H4O5)3(H2O)9]·6H2O} n , the asymmetric unit is formed by two Ce(III) atoms, three 5-hy-droxy-benzene-1,3-di-carboxyl-ate ligands, nine coordinating water mol-ecules and six water mol-ecules of crystallization. The two Ce(III) atoms are bridged by 5-hy-droxy-benzene-1,3-di-carboxyl-ate ligands acting in a bis-bidentate coordination mode, generating infinite chains along [101]. Both independent metal atoms are nine-coordinated, one by four O atoms from the carboxyl-ate groups of two bridging 5-hy-droxy-benzene-1,3-di-carboxyl-ate ligands and five O atoms from water mol-ecules, generating a tricapped trigonal-prismatic geometry. The coordination around the second Ce(III) atom is similar, except that one of the water mol-ecules is replaced by an O atom from an additional 5-hy-droxy-benzene-1,3-di-carboxyl-ate ligand acting in a monodentate coordination mode and forming a capped square-anti-prismatic geometry.

| S-EPMC4011209 | 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