Browse
Submit Data
Databases
API
Help

Dataset Information

26 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Tetra-kis(?-4-methoxy-benzoato)bis-[(4-methoxy-benzoato)(1,10-phenan-throline)terbium(III)].

ABSTRACT: In the title dinuclear complex, [Tb(2)(C(8)H(7)O(3))(6)(C(12)H(8)N(2))(2)], each Tb(III) ion is eight-coordinated by two N atoms from a 1,10-phenanthroline ligand and six O atoms from the carboxyl-ate groups of five 4-methoxy-benzoate ligands in a distorted square-anti-prismatic geometry. All six 4-methoxy-benzoate ligands act in a bidentate mode, two coordinating to one Tb center each and the other four bridging two Tb centers [Tb?Tb separation = 4.3144?(6)?Å]. In the crystal, inter-molecular ?-? inter-actions between the aromatic rings of 1,10-phenanthroline and 4-methoxy-benzoate ligands [centroid-centroid distance = 3.742?(9)?Å] link two mol-ecules into a centrosymmetric dimer. Weak inter-molecular C-H?O hydrogen bonds help to consolidate the crystal packing.

SUBMITTER: Gao ZH

PROVIDER: S-EPMC2970326 | biostudies-literature | 2009 Sep

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Tetra-kis(μ-4-methoxy-benzoato)bis-[(4-methoxy-benzoato)(1,10-phenan-throline)terbium(III)].

Gao Zhi-Hua ZH Wang Hao H He Jing-Yu JY Wang Rui-Fen RF

Acta crystallographica. Section E, Structure reports online 20090926 Pt 10

In the title dinuclear complex, [Tb(2)(C(8)H(7)O(3))(6)(C(12)H(8)N(2))(2)], each Tb(III) ion is eight-coordinated by two N atoms from a 1,10-phenanthroline ligand and six O atoms from the carboxyl-ate groups of five 4-methoxy-benzoate ligands in a distorted square-anti-prismatic geometry. All six 4-methoxy-benzoate ligands act in a bidentate mode, two coordinating to one Tb center each and the other four bridging two Tb centers [Tb⋯Tb separation = 4.3144 (6) Å]. In the crystal, inter-molecular π ...[more]

PMID: 21577758

Similar Datasets

Chloridobis(1,10-phenanthroline)zinc(II) tetra-chlorido(1,10-phenan-throline)bis-muthate(III) monohydrate.

Project description:In the crystal structure of the title monohydrate salt, [ZnCl(C(12)H(8)N(2))(2)][BiCl(4)(C(12)H(8)N(2))]·H(2)O, the ionic components are linked into three-dimensional supra-molecular channels by five pairs of C-H?Cl hydrogen bonds and ?-? stacking inter-actions with an inter-planar distance of 3.643?(2)?Å. The solvent water mol-ecules are lodged in the channels.

| S-EPMC3050139 | biostudies-literature

Tetra-kis(μ-2,4-difluoro-benzoato)bis-[(2,2'-bipyridine)(2,4-difluoro-benzoato)terbium(III)].

Project description:In the centrosymmetric dinuclear title compound, [Tb(2)(C(7)H(3)F(2)O(2))(6)(C(10)H(8)N(2))(2)], the Tb(III) ion is coordinated by an N,N'-bidentate 2,2'-bipyridine mol-ecule, and two O,O'-bidentate 2,4-difluoro-benzoate (dfb) anions. One of the latter also bonds to the second Tb(III) centre through one of its O atoms. The third dfb anion bonds to one Tb atom from each of its O atoms. Thus, the three dfb species have three different coordination modes. This results in an irregular TbN(2)O(7) coordination sphere for the metal ion. The F atoms and their associated H atoms in the simple bidentate dfb anion are disordered over two sets of sites in a 0.672 (10):0.328 (10) ratio.

| S-EPMC2968370 | biostudies-literature

Tetra-kis(μ-2,4-difluoro-benzoato)bis-[(2,4-difluoro-benzoato)(1,10-phenanthroline)gadolinium(III)].

Project description:In the title compound, [Gd(2)(C(7)H(3)F(2)O(2))(6)(C(12)H(8)N(2))(2)], the asymmetric unit comprises one Gd(3+) cation chelated by two 2,4-difluoro-benzoate and one 1,10-phenanthroline ligands. Two cations are linked into a centrosymmetric dimer via three bridging carboxyl-ate groups of 2,4-difluoro-benzoate ligands. Each Gd(3+) ion is nine-coordinated by seven O atoms and two N atoms.

| S-EPMC2960912 | biostudies-literature

(Carbonato-?O,O')bis-(1,10-phenan-throline-?N,N')cobalt(III) nitrate monohydrate.

Project description:The crystal structure of the title compound, [Co(CO(3))(C(12)H(8)N(2))(2)]NO(3)·H(2)O, consists of Co(III) complex cations, nitrate anions and uncoordinated water mol-ecules. The Co(III) cation is chelated by a carbonate anion and two phenanthroline ligands in a distorted octa-hedral coordination geometry. A three-dimensional supra-molecular structure is formed by O-H?O and C-H?O hydrogen bonding, C-H?? and aromatic ?-? stacking [centroid-centroid distance = 3.995?(1)Å] inter-actions.

| S-EPMC2980272 | biostudies-literature

Di-?-oxido-bis-[(4-formyl-2-methoxy-phenolato-?O)oxido(1,10-phenan-throline-?N,N')vanadium(V)].

Project description:The title complex, [V(2)(C(8)H(7)O(3))(2)O(4)(C(12)H(8)N(2))(2)], is a centrosymmetric dimer formed by two V(V) complex units bridged by two ?(2)-oxido groups. The V(V) atom is six-coordinated by three oxide O atoms, one O atom from a vanillinate ligand and two N atoms from a 1,10-phenanthroline ligand in a significantly distorted octa-hedral geometry. In the crystal structure, weak inter-molecular C-H?O hydrogen bonds connect the mol-ecules into a three-dimensional network.

| S-EPMC2970134 | 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-kis-?-l-alanine-?O:O'-bis-[tetra-aqua-terbium(III)] hexa-perchlorate.

Project description:The asymmetric unit of the title compound, [Tb(2)(C(3)H(7)NO(2))(4)(H(2)O)(8)](ClO(4))(6), contains a dinuclear cation and six perchlorate anions, one of which is disordered. In the cation, the four l-alanine mol-ecules are present in their zwitterionic form and bridge two Tb(3+) ions through their carboxyl-ate O atoms. Each Tb atom is also coordinated by four water mol-ecules in a square-anti-prismatic geometry. In the crystal structure, the cations and anions are held together via inter-molecular O-H?O and N-H?O hydrogen bonds.

| S-EPMC2979733 | biostudies-literature

Tetra-?-benzoato-?O:O';?O:O,O';?O,O':O'-bis-[(benzoato-?O,O')(1,10-phenanthroline-?N,N')terbium(III)] benzoic acid disolvate.

Project description:The asymmetric unit of the title complex, [Tb(2)(C(7)H(5)O(2))(6)(C(12)H(8)N(2))(2)]·2C(7)H(6)O(2), consists of one-half of the complex mol-ecule, which lies on a crystallographic inversion centre, and one benzoic acid solvent mol-ecule. The two Tb(III) ions are linked by four bridging benzoate ions, with a Tb?Tb distance of 3.9280?(6)?Å. Additionally, each Tb(III) ion is coordinated by one phenanthroline heterocycle and a bidentate benzoate ion. The irregular nine-coordinated geometry of the Tb(III) ion is composed of seven O and two N atoms. The mol-ecular structure is stabilized by intra-molecular C-H?O hydrogen bonds. In the crystal structure, mol-ecules are linked into chains along the a axis by inter-molecular C-H?O hydrogen bonds. The crystal structure is further stabilized by inter-molecular C-H?O and C-H?? inter-actions. Weak ?-? inter-actions are also observed [centroid-centroid distances = 3.6275?(14)-3.6604?(14)?Å].

| S-EPMC2979618 | biostudies-literature

Acetonitrile-bis-(2,9-dimethyl-1,10-phen-an-throline)copper(II) bis-(tetra-fluorido-borate).

Project description:The title compound, [Cu(CH(3)CN)(C(12)H(12)N(2))(2)](BF(4))(2), crystallizes with two copper-containing cations and four tetra-fluoro-borate anions in the asymmetric unit. The structure represents a second crystal form of the salt, the first being an acetonitrile solvate [Watton (2009 ?). Acta Cryst. E65, m585-m586]. The complex cation has a distorted trigonal-bipyramidal geometry, whereas the previous structure exhibits a distorted square-pyramidal geometry. One of the four BF(4) (-) counter-ions is disordered, with a refined site occupancy of 0.8615?(17):0.1385?(17).

| S-EPMC3009076 | biostudies-literature

(2-Hy-droxy-acetato-?O)bis-(1,10-phenan-throline-?N,N')copper(II) nitrate.

Project description:In the title compound, [Cu(C(2)H(3)O(3))(C(12)H(8)N(2))(2)]NO(3), the Cu(II) atom is coordinated by two phenanthroline (phen) ligands and one carboxyl-O atom of a hy-droxy-acetate anion in a distorted square-pyramidal geometry. The hy-droxy group of the hy-droxy-acetate ligand links with the counter NO(3) (-) anion via a pair of bifurcated O-H?O hydrogen bonds. The centroid-centroid distance of 3.5676?(14)?Å between benzene rings of parallel phen ligands of adjacent mol-ecules suggests the existence of ?-? stacking. Weak inter-molecular C-H?O hydrogen bonding is also present in the crystal structure.

| S-EPMC3089357 | biostudies-other

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