Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Poly[diaqua-bis(?(3)-1H-benzimidazole-5,6-dicarboxyl-ato-?N:O,O:O)bis-(?(2)-1H,3H-benzimidazolium-5,6-dicarboxyl-ato-?O,O:O)digadolinium(III)].

ABSTRACT: In the title complex, [Gd(2)(C(9)H(4)N(2)O(4))(2)(C(9)H(5)N(2)O(4))(2)(H(2)O)(2)](n), two of the benzimidazole-5,6-dicarboxyl-ate ligands are pro-ton-ated at the imidazole groups. Each Gd(III) ion is coordinated by six O atoms and one N atom from five ligands and one water mol-ecule, displaying a distorted bicapped trigonal-prismatic geometry. The Gd(III) ions are linked by the carboxyl-ate groups and imidazole N atoms, forming a layer parallel to (001). These layers are further connected by O-H?O and N-H?O hydrogen bonds into a three-dimensional supra-molecular network.

SUBMITTER: Huang JX

PROVIDER: S-EPMC2971816 | biostudies-other | 2009 Nov

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

Poly[diaqua-bis(μ(3)-1H-benzimidazole-5,6-dicarboxyl-ato-κN:O,O:O)bis-(μ(2)-1H,3H-benzimidazolium-5,6-dicarboxyl-ato-κO,O:O)digadolinium(III)].

Huang Jie-Xuan JX Wu Yi-Yi YY Huang Chun-De CD Lian Qing-Yang QY Zeng Rong-Hua RH

Acta crystallographica. Section E, Structure reports online 20091114 Pt 12

In the title complex, [Gd(2)(C(9)H(4)N(2)O(4))(2)(C(9)H(5)N(2)O(4))(2)(H(2)O)(2)](n), two of the benzimidazole-5,6-dicarboxyl-ate ligands are pro-ton-ated at the imidazole groups. Each Gd(III) ion is coordinated by six O atoms and one N atom from five ligands and one water mol-ecule, displaying a distorted bicapped trigonal-prismatic geometry. The Gd(III) ions are linked by the carboxyl-ate groups and imidazole N atoms, forming a layer parallel to (001). These layers are further connected by O-H ...[more]

PMID: 21578602

Similar Datasets

Poly[(?-1H-benzimidazole-5,6-dicarboxyl-ato)lead(II)].

Project description:The crystal structure of the two-dimensional polymeric title compound, [Pb(C(9)H(4)N(2)O(4))](n), comprises one crystallo-graphic-ally independent Pb(II) atom and one fully deprotonated 1H-benzimidazole-5,6-dicarboxyl-ate (H(2)L) ligand. The Pb(II) atom is seven-coordinated by six O atoms and one N atom from the H(2)L ligands, giving a capped octa-hedral coordination geometry. The structure is a layered two-dimensional coordination polymer extending parallel to (100) with N-H?O hydrogen bonds inter-actions between the layers, stabilizing the crystal structure.

| S-EPMC3120506 | biostudies-literature

Poly[[aqua-(μ(5)-1H-benzimidazole-5,6-dicarboxyl-ato)(μ(4)-1H-benzimidazole-5,6-dicarboxyl-ato)dibarium] 4.5-hydrate].

Project description:The polymeric title compound, {[Ba(2)(C(9)H(4)N(2)O(4))(2)(H(2)O)]·4.5H(2)O}(n), adopts a layer structure parallel to (001) in which adjacent Ba(II) atoms are connected by two benzimidazole-5,6-dicarboxyl-ate dianions, one functioning in a μ(4)-bridging mode and the other in a μ(5)-bridging mode. The Ba atom having water in its coordination environment as well as the Ba atom without water exist in a nine-coordinate polyhedron of O atoms; the geometry is difficult to derive. Lattice water mol-ecules occupy the space between layers and inter-act with the layers through O-H⋯O, O-H⋯N and N-H⋯O hydrogen bonds. ne of the five lattice water molecules is equally disordered around an inversion centre and shows half-occupancy.

| S-EPMC3120458 | biostudies-literature

Poly[diaqua-(?(3)-1H-benzimidazole-5,6-dicarboxyl-ato-?N:O,O:O)magnesium(II)].

Project description:In the title complex, [Mg(C(9)H(4)N(2)O(4))(H(2)O)(2)](n), the Mg(II) atom is six-coordinated by one N and three O atoms from three different 1H-benzimidazole-5,6-dicarboxyl-ate ligands and two O atoms from two water mol-ecules, forming a slightly distorted octa-hedral geometry. The ligand links the Mg(II) centres into a three-dimensional network. Extensive N-H?O and O-H?O hydrogen bonds exist between the ligands and water mol-ecules, stabilizing the crystal structure.

| S-EPMC2979947 | biostudies-literature

Poly[[diaqua-(?(4)-1H-benzimidazole-5,6-dicarboxyl-ato)strontium] monohydrate].

Project description:Each of the carboxyl-ate -CO(2) fragments of the dianion ligand in the title compound, {[Sr(C(9)H(4)N(2)O(4))(H(2)O)(2)]·H(2)O}(n), chelates to a Sr(II) atom and at the same time, one of the two O atoms coordinates to a third Sr(II) atom. The ?(4)-bridging mode of the dianion generates a square-grid layer motif; adjacent layers are connected by O-H?O, O-H?N and N-H?O hydrogen bonds, forming a three-dimensional network. The eight-coordinate Sr atom exists in a distorted square-anti-prismatic geometry. The crystal studied was a non-merohedral twin with a minor twin component of 24%.

| S-EPMC2971846 | biostudies-other

Poly[[(?-1H-benzimidazole-5,6-dicarboxyl-ato)zinc(II)] monohydrate].

Project description:The three-dimensional polymeric title compound, {[Zn(C(9)H(4)N(2)O(4))]·H(2)O}(n), contains one crystallographically independent Zn(II) atom, one fully deprotonated 1H-benzimid-azole-5,6-dicarboxyl-ate (bdc) ligand and one uncoordinated water mol-ecule. The Zn(II) atom is four-coordinated by three O atoms and one N atom from the bdc ligands, giving a distorted tetra-hedral coordination geometry. The uncoordinated water mol-ecule is bound to the main structure through a strong bdc-water N-H?O hydrogen bond, and two much weaker water-bdc O-H?O inter-actions.

| S-EPMC2969483 | biostudies-literature

catena-Poly[[diaqua-(1,10-phenanthroline-?N,N')nickel(II)]-?-1H-benzimidazole-5,6-dicarboxyl-ato-?N:O].

Project description:In the title complex, [Ni(C(9)H(4)N(2)O(4))(C(12)H(8)N(2))(H(2)O)(2)](n), the Ni(II) atom is hexa-coordinated by one N and one O atom from two different 1H-benzimidazole-5,6-dicarboxyl-ate ligands, two N atoms from one 1,10-phenanthroline ligand and two water mol-ecules. The flexible 1H-benzimidazole-5,6-dicarboxyl-ate ligands link the Ni(II) centres, forming an infinite zigzag chain parallel to [001]. The crystal packing is governed by inter-molecular hydrogen-bonding inter-actions of the O-H?O, N-H?O and C-H?O types.

| S-EPMC2969534 | biostudies-literature

Poly[[tetraaqua-bis(?(3)-1H-benzimidazole-5,6-dicarboxyl-ato)dicobalt(II)] trihydrate].

Project description:The title complex, {[Co(2)(C(9)H(4)N(2)O(4))(2)(H(2)O)(4)]·3H(2)O}(n), was synthesized hydro-thermally. The unique Co(II) ion is coordin-ated in a distorted octa-hedral coordination environment by two water mol-ecules and three symmetry-related 1H-benzimid-azole-5,6-dicarboxyl-ate (Hbidc) ligands. The Hbidc ligands coordinate via a bis-chelating and mono-chelating carboxyl-ate group and by an imidazole group N atom, bridging the Co(II) ions and forming an extended two-dimensional structure in the ab plane. In the crystal structure, inter-molecular N-H?O and O-H?O hydrogen bonds connect complex and solvent water mol-ecules, forming a three-dimensional supermolecular network. One of the solvent water mol-ecules lies on a twofold rotation axis.

| S-EPMC2971884 | biostudies-other

catena-Poly[[[triaqua-europium(III)]-?-(1H-benzimidazole-5,6-dicarboxyl-ato-?O:O)-?-(1H,3H-benzimidazol-3-ium-5,6-dicarboxyl-ato-?O:O,O)] dihydrate].

Project description:In the title one-dimensional coordination polymer, {[Eu(C(9)H(4)N(2)O(4))(C(9)H(5)N(2)O(4))(H(2)O)(3)]·2H(2)O}(n), one of the 1H-benzimidazole-5,6-dicarboxyl-ate (Hbdc) ligands is protonated at the imidazole group (H(2)bdc). The Eu(III) ion is eight-coordinated by two O atoms from two Hbdc ligands, three O atoms from two H(2)bdc ligands and three water mol-ecules, showing a distorted square-anti-prismatic geometry. The Eu(III) ions are bridged by the carboxyl-ate groups of the Hbdc and H(2)bdc ligands, forming a chain along [110], with an Eu?Eu separation of 5.4594?(3)?Å. These chains are further connected by inter-molecular O-H?O, N-H?O and N-H?N hydrogen bonds, as well as ?-? inter-actions between the imidazole and benzene rings [centroid-centroid distances = 3.558?(3), 3.906?(2), 3.397?(3), 3.796?(2) and 3.898?(2)?Å], into a three-dimensional supra-molecular network.

| S-EPMC3200846 | biostudies-other

catena-Poly[[[diaqua-(1,10-phenanthroline-?(2) N,N')cobalt(II)]-?-1H-benzimidazole-5,6-dicarboxyl-ato-?(2) N (3):O (6)] sesquihydrate}.

Project description:In the title compound, {[Co(C9H4N2O4)(C12H8N2)(H2O)2]·1.5H2O} n , the Co(II) atom is hexa-coordinated by one N atom and one O atom from two symmetry-related 1H-benzimidazole-5,6-dicarboxyl-ate ligands, two N atoms from one 1,10-phenanthroline ligand (phen) and two water mol-ecules. The dihedral angle between the 1H-benzimidazole-5,6-dicarboxyl-ate and 1,10-phenanthroline ligands is 74.41?(4)°. The crystal packing is governed by inter-molecular O-H?O and N-H?O hydrogen-bonding inter-actions. All water (coordin-ating and lattice) mol-ecules take part in the hydrogen-bonding inter-actions. In addition, there are ?-? stacking inter-actions between inversion-related phen ligands, the shortest centroid-centroid distance being 3.7536?(16)?Å. One of the two lattice water molecules shows half-occupancy.

| S-EPMC3588709 | biostudies-literature

Poly[?(2)-aqua-aqua-(?(3)-1H-benzimidazole-5,6-dicarboxyl-ato-?N:O:O)manganese(II)].

Project description:In the title complex, [Mn(C(9)H(4)N(2)O(4))(H(2)O)(2)](n), the Mn(II) atom is in a distorted octa-hedral coordination completed by one N atom from one 1H-benzimidazole-5,6-dicarboxyl-ate ligand, two O atoms from two different 1H-benzimidazole-5,6-dicarboxyl-ate ligands, and three O atoms from three water mol-ecules. Two bridging water mol-ecules and two bridging carboxyl-ate groups from a 1H-benzimidazole-5,6-dicarboxyl-ate ligand connect two Mn(II) ions into a dimeric structure. In the crystal, extensive inter-molecular O-H?O, N-H?O and C-H?O hydrogen bonding forms a three-dimensional network.

| S-EPMC2979272 | 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