Browse
Submit Data
Databases
API
Help

Dataset Information

16 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Di-?-benzoato-?O,O':O;?O:O,O'-bis-[(acetato-?O)(1,10-phenanthroline-?N,N')lead(II)] dihydrate.

ABSTRACT: The title compound, [Pb(2)(CH(3)COO)(2)(C(7)H(5)O(2))(2)(C(12)H(8)N(2))(2)]·2H(2)O, consists of dimeric units built up around a crystallographic centre of symmetry and two non-coordinating water mol-ecules. Each Pb(II) unit is six-coordinated by a bidentate 1,10-phenanthroline (phen) ligand, a monodentate acetate anion and a bidentate benzoate anion, which also acts as a bridge linking the two Pb(II) atoms. The crystal packing is stabilized by O-H?O hydrogen bonds and by ?-? inter-actions between the phen rings of neighboring mol-ecules, with a centroid-centroid distance of 3.577?(3)?Å.

SUBMITTER: Gao J

PROVIDER: S-EPMC2977393 | biostudies-literature | 2009 Jul

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Di-μ-benzoato-κO,O':O;κO:O,O'-bis-[(acetato-κO)(1,10-phenanthroline-κN,N')lead(II)] dihydrate.

Gao Junli J Xuan Xiaopeng X

Acta crystallographica. Section E, Structure reports online 20090711 Pt 8

The title compound, [Pb(2)(CH(3)COO)(2)(C(7)H(5)O(2))(2)(C(12)H(8)N(2))(2)]·2H(2)O, consists of dimeric units built up around a crystallographic centre of symmetry and two non-coordinating water mol-ecules. Each Pb(II) unit is six-coordinated by a bidentate 1,10-phenanthroline (phen) ligand, a monodentate acetate anion and a bidentate benzoate anion, which also acts as a bridge linking the two Pb(II) atoms. The crystal packing is stabilized by O-H⋯O hydrogen bonds and by π-π inter-actions betwee ...[more]

PMID: 21583360

Similar Datasets

Bis(2-fluoro-benzoato-?O,O')bis-(1,10-phenanthroline-?N,N')lead(II) dihydrate.

Project description:In the title compound, [Pb(C(7)H(4)FO(2))(2)(C(12)H(8)N(2))(2)]·2H(2)O, the Pb(II) atom is coordinated by four N atoms from two bidentate chelating 1,10-phenanthroline (phen) ligands and four O atoms from two 2-fluoro-benzoate ligands in an irregular polyhedral coordination geometry. Two carboxyl-ate O atoms and one F atom are each disordered over two sites with occupancy factors of 0.60 and 0.40. The dihedral angle between the two phen ligands is 89.9?(1)°. The mean inter-planar distances are alternatively of 3.44?(3) and 3.45?(3)?Å, indicating ?-? stacking inter-actions between the neighboring phen ligands. In the crystal, O-H?O, O-H?F and C-H?O hydrogen bonds link the complex mol-ecules and uncoordinated water mol-ecules into a supra-molecular network.

| S-EPMC2970442 | biostudies-literature

Hemiaqua-bis(2-fluoro-benzoato-?O,O')bis-(1,10-phenanthroline-?N,N')lead(II) dihydrate.

Project description:In the title compound, [Pb(C(7)H(4)FO(2))(2)(C(12)H(8)N(2))(2)(H(2)O)(0.5)]·2H(2)O, the Pb(II) atom is coordinated by four N atoms from two bidentate chelating 1,10-phenanthroline (phen) ligands, four O atoms from two 2-fluoro-benzoate ligands and a half-occupied water mol-ecule in an irregular coordination geometry. One carboxyl-ate O atom and two F atoms are each disordered over two sites with occupancy factors of 0.558?(6) and 0.442?(6). The two crystallographically independent phen ligands are co-planar [dihedral angle 0.0?(2)°]. Centroid-centroid distances of 3.659?(7) and 3.687?(7)?Å indicate ?-? stacking inter-actions between neighboring phen ligands. In the crystal, O-H?O, C-H?F and C-H?O hydrogen bonds link the complex mol-ecules and uncoordinated water mol-ecules into a supra-molecular network.

| S-EPMC2977250 | biostudies-literature

Di-?-benzoato-?O,O':O;?O:O,O'-bis-[(benzoato-?O,O')(1,10-phenanthroline-?N,N')lead(II)].

Project description:In the centrosymmetric dinuclear title compound, [Pb(2)(C(7)H(5)O(2))(4)(C(12)H(8)N(2))(2)], two Pb(2+) ions are connected by two tridentate bridging benzoate anions. The Pb(2+) ion is seven-coordinated by five O atoms from three benzoate anions and two N atoms from the 1,10-phenanthroline ligands. The benzoate anions adopt two different coordination modes, one bidentate-chelating and one tridentate bridging-chelating. The three-dimensional supra-molecular framework is achieved by inter-molecular ?-? stacking inter-actions, with a shortest centroid-centroid distance of 3.617?(4)?Å.

| S-EPMC3120329 | biostudies-literature

Di-?-chlorido-bis-[(1,10-phenanthroline-?N,N')(trichloro-acetato-?O)copper(II)].

Project description:The title compound, [Cu(2)(C(2)Cl(3)O(2))(2)Cl(2)(C(12)H(8)N(2))(2)], features a centrosymmetric binuclear complex. The coordination geometry around the Cu(II) atom is square-pyramidal, comprising two N atoms from a symmetrically chelating 1,10-phenanthroline ligand, one O atom from a trichloro-acetate ligand and two Cl(-) anions. In addition, there is a weak intra-molecular Cu?O inter-action of 2.9403?(14)?Å involving the carbonyl O atom of the trichloro-acetate ligand. The central Cu(2)Cl(2) core takes the form of a rhombus, owing to the disparate Cu-Cl bond lengths. Mol-ecules are connected in the crystal structure by C-H?Cl and C-H?O inter-actions.

| S-EPMC3297214 | biostudies-literature

Bis(?(2)-2-chloro-benzoato-?O:O')bis-[(2-chloro-benzoato-?O)(1,10-phenanthroline-?N:N')copper(II)] dihydrate.

Project description:In the title compound, [Cu(2)(C(7)H(4)ClO(2))(4)(C(12)H(8)N(2))(2)]·2H(2)O, the two crystallographically independent dinuclear complex mol-ecules, A and B, have different Cu?Cu separations, viz. 3.286?(1)?Å in A and 3.451?(1)?Å in B. Both independent mol-ecules reside on inversion centres, so the asymmetric unit contains a half-mol-ecule each of A and B and two water mol-ecules. Each Cu atom has a square-pyramidal environment, being coordinated by two O atoms from two bridging 2-chloro-benzoate ligands, one O atom from a monodentate 2-chloro-benzoate ligand and two N atoms from a 1,10-phenanthroline ligand. The water mol-ecules can also be considered as coordinating ligands, which complete the coordination geometry up to distorted octa-hedral with elongated Cu-O distances, viz. 3.024?(3)?Å in A and 2.917?(3)?Å in B. In the crystal, weak inter-molecular C-H?O inter-actions contribute to the consolidation of the crystal packing.

| S-EPMC3212258 | biostudies-literature

catena-Poly[[(1,10-phenanthroline)lead(II)]bis-(?-5-chloro-2-hy-droxy-benzoato)].

Project description:In the title polymer, [Pb(C(7)H(4)ClO(3))(2)(C(12)H(8)N(2))](n), the Pb(II) ion displays a distorted pseudo-octa-hedral coordination geometry. The metal center is coordinated by six O atoms from four 5-chloro-salicylate ligands and two N atoms from a chelating phenanthroline ligand. The polymeric structure is built up from bridging carboxyl-ate O atoms, forming chains along [100]. The crystal structure is stabilized by ?-? inter-actions between the 1,10-phenanthroline and 5-chloro-salicylate ligands, the shortest centroid-centroid separation between neighbouring aromatic rings being 3.652?(1)?Å.

| S-EPMC3007493 | biostudies-literature

Di-?-methacrylato-?O:O'-bis-[aqua-bis(1,10-phenanthroline-?N,N')copper(II)] dinitrate dihydrate.

Project description:The title complex, [Cu(2)(C(4)H(5)O(2))(2)(C(12)H(8)N(2))(2)(H(2)O)(2)](NO(3))(2)·2H(2)O, contains a dimeric [Cu(2)(C(4)H(5)O(2))(2)(C(12)H(8)N(2))(2)(H(2)O)(2)](2+) dication with two five-coordinated Cu(II) ions linked by two methacrylate ions in a syn-syn bridging arrangement. The dication possesses pseudo-twofold rotational symmetry. The penta-coordination of each Cu(II) ion has a distorted square-pyramidal geometry, with two N donors from a phenanthroline ligand and two carboxyl-ate O atoms occupying basal sites and the apical position being occupied by a water mol-ecule. In the crystal packing, mol-ecules are linked to form a three-dimensional framework by O-H?O and C-H?O hydrogen bonds and ?-? inter-actions [centroid-centroid distances of 3.6039?(15), 3.5301?(15), 3.6015?(15), 3.6496?(15) and 3.6858?(15)?Å].

| S-EPMC2961707 | biostudies-literature

Bis(benzoato-?O,O')(1,10-phenanthroline-?N,N')lead(II) benzoic acid mono-solvate.

Project description:The reaction of lead acetate, benzoic acid and 1,10-phenanthroline (phen) in aqueous solution yielded the title complex, [Pb(C(7)H(5)O(2))(2)(C(12)H(8)N(2))]·C(7)H(6)O(2). In the crystal, the Pb(II) ion is hexa-coordinated by two N atoms from one 1,10-phenanthroline ligand and four O atoms from two chelate benzoate anions. If the second benzoate ligand is treated as one coordination site, the overall coordination may be represented as a distorted pseudo-square pyramid. An inter-molecular O-H?O hydrogen bond links the solvent benzoic acid mol-ecule with a metal-coordinated benzoate ligand. The shortest Pb?Pb distance is 3.864?(4)?Å, indicating a weak metal-metal inter-action. Two complex mol-ecules related by an inversion centre form dimeric units via Pb?O inter-actions of 3.206?(4)?Å.

| S-EPMC3011696 | biostudies-literature

Aqua-bis-(benzoato-?O)(1,10-phenanthroline-?N,N')zinc(II).

Project description:The Zn atom in the title compound, [Zn(C(7)H(5)O(2))(2)(C(12)H(8)N(2))(H(2)O)], is five-coordinate in a distorted trigonal-bipyramidal coordination environment involving two O atoms of two monodentate benzoates, two N atoms of a 1,10-phenanthroline mol-ecule and one O atom of a water mol-ecule. The axial positions are occupied by a carboxyl-ate O atom from the benzoate ligand and an N atom from the 1,10-phenanthroline ligand [N-Zn-O = 146.90?(7)°]. The water mol-ecule forms an intra-molecular O-H?O hydrogen bond; an inter-molecular O-H?O hydrogen bond gives rise to a dimer.

| S-EPMC3050171 | biostudies-literature

catena-Poly[[bis-[aqua-(1,10-phenanthroline)lead(II)]-bis-(??-2-hy-droxy-5-sulfonato-benzoato)] acetic acid monosolvate].

Project description:In the title compound, [Pb?(C?H?O?S)?(C??H?N?)?(H?O)?]·CH?COOH, the seven-coordinate Pb(II) atom is chelated by two N atoms of one 1,10-phenanthroline ligand, four O atoms from three 5-sulfosalicylate dianions and one water O atom. Each dianion serves as a bridging ligand, connecting adjacent Pb(II) atoms into a centrosymmetric polymeric chain extending parallel to [001]. There are ?-? inter-actions between the aromatic systems of neighbouring dianions, with plane-to-plane distances of 3.371?(2)?Å, and between phenanthroline ligands, with a centroid-to-centroid distance of 3.484?(2)?Å. O-H?O hydrogen bonding additionally stabilizes the crystal packing. The acetic acid mol-ecules are incorporated in the voids of this arrangement. They exhibit half-occupancy due to disorder around a centre of inversion.

| S-EPMC3393157 | 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