Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Poly[diaqua-1κO-bis[μ(3)-2-(1H-tetra-zol-5-yl)benzoato(2-)]dicadmium(II)].

ABSTRACT: The title compound, [Cd(2)(C(8)H(4)N(4)O(2))(2)(H(2)O)(2)](n), is a coordination polymer prepared by the hydro-thermal reaction of cadmium(II) chloride and 2-(1H-tetra-zol-5-yl)benzoic acid. Two types of coordinated cadmium cations exist in the structure. One is located on a twofold axis and is coordinated by four O and two N atoms from four symmetry-related ligands, forming a trigonal-prismatic coordination polyhedron. The other is located on an inversion center and is octa-hedrally coordinated by two N and two O atoms from two ligands in equatorial sites, and two water mol-ecules in axial sites. The organic ligand bridges three Cd atoms, through a carboxyl-ate group and two N atoms of the tetra-zolate unit. This mode of coordination results in a two-dimensional framework. The crystal structure is stabilized by inter-molecular O-H⋯O and O-H⋯N hydrogen bonds.

SUBMITTER: Li XZ

PROVIDER: S-EPMC2961931 | biostudies-literature | 2008 Jul

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Poly[diaqua-1κO-bis[μ(3)-2-(1H-tetra-zol-5-yl)benzoato(2-)]dicadmium(II)].

Li Xiu-Zhi XZ Wu Bao-Zhen BZ Qu Zhi-Rong ZR

Acta crystallographica. Section E, Structure reports online 20080709 Pt 8

The title compound, [Cd(2)(C(8)H(4)N(4)O(2))(2)(H(2)O)(2)](n), is a coordination polymer prepared by the hydro-thermal reaction of cadmium(II) chloride and 2-(1H-tetra-zol-5-yl)benzoic acid. Two types of coordinated cadmium cations exist in the structure. One is located on a twofold axis and is coordinated by four O and two N atoms from four symmetry-related ligands, forming a trigonal-prismatic coordination polyhedron. The other is located on an inversion center and is octa-hedrally coordinated ...[more]

PMID: 21203002

Similar Datasets

catena-Poly[[[diaqua-cadmium(II)]-bis-[μ-3,5-bis-(isonicotinamido)benzoato]] tetra-hydrate].

Project description:The title compound, {[Cd(C(19)H(13)N(4)O(4))(2)(H(2)O)(2)]·4H(2)O}(n) or {[Cd(BBA)(2)(H(2)O)(2)]·4H(2)O}(n), where BBA is 3,5-bis-(iso-nicotin-amido)-benzoate, is isotypic with its Mn isologue [Chen et al. (2009 ▶). J. Coord. Chem.62, 2421-2428]. The cation sits on a twofold axis and is six-coordinated in a slightly distorted octa-hedral geometry; the polyhedra are linked into zigzag chains, which are further connected by N-H⋯O, O-H⋯O and O-H⋯N hydrogen bonds as well as π-π inter-actions [centroid-centroid distance of 3.639 (2) Å], giving a three-dimensional supra-molecular framework.

| S-EPMC2983169 | biostudies-literature

Poly[diaqua-bis(μ-azido-κN:N)bis-(μ(3)-1-oxoisonicotinato-κO:O':O'')dicadmium(II)].

Project description:In the title compound, [Cd(2)(C(6)H(4)NO(3))(2)(N(3))(2)(H(2)O)(2)](n), one Cd(II) atom is located on an inversion center and is coordinated by four O atoms from four bridging 1-oxoisonicotinate ligands and two N atoms of two bridging azide ligands in a slightly distorted octa-hedral geometry. The other Cd(II) atom, also lying on an inversion center, is coordinated by four O atoms from two bridging 1-oxoisonicotinate ligands and two water mol-ecules and two N atoms of two bridging azide ligands in a slightly distorted octa-hedral geometry. The Cd atoms are connected via the 1-oxoisonicotinate and azide ligands into a two-dimensional coordination network. The crystal structure involves O-H⋯N and O-H⋯O hydrogen bonds.

| S-EPMC2961384 | biostudies-literature

Diaqua-dimethano-lbis[4-(1H-tetra-zol-1-yl)benzoato]zinc(II) dihydrate.

Project description:In the title compound, [Zn(C(8)H(5)N(4)O(2))(2)(CH(3)OH)(2)(H(2)O)(2)]·2H(2)O, the Zn(II) ion lies on an inversion centre and is coordinated by two O atoms from two 4-(tetra-zol-1-yl)benzoate ligands, two O atoms from two methanol mol-ecules and two O atoms from two water mol-ecules in a slightly distorted octa-hedral geometry. In addition, there are two uncoordinated water mol-ecules in the crystal structure. The crystal structure is stabilized by inter-molecular O-H⋯O hydrogen bonds.

| S-EPMC2961137 | biostudies-literature

Poly[diaqua-bis-(nitrato-κ²O,O')bis-(1,10-phenanthroline-κ²N,N')-μ₃-succinato-dicadmium].

Project description:In the title coordination polymer, [Cd₂(C₄H₄O₄)(NO₃)₂(C₁₂H₈N₂)₂(H₂O)₂](n), the Cd(II) ion is seven-coordinated within a distorted penta-gonal-bipyramidal O₅N₂ environment. The succinate anions, located on an inversion centre, adopt a bis-monodentate bridging mode, leading to the formation of rods along [100]. The rods are connected by O-H⋯O hydrogen bonds between the coordinating water mol-ecules and nitrate O atoms of adjacent rods; the same type of hydrogen bonds are also observed between water and carboxyl-ate O atoms within the rods. π-π stacking inter-actions with a minimum plane-to-plane separation of 3.462 (2) Å occur between phenanthroline ligands.

| S-EPMC3393172 | biostudies-literature

catena-Poly[(diaqua-strontium)-bis-(μ-2-methyl-3,5-dinitro-benzoato)].

Project description:The title compound, [Sr(C(8)H(5)N(2)O(6))(2)(H(2)O)(2)](n), essentially consists of a one-dimensional polymeric network with Sr(2)O(2) rings extending along the [100] direction. The range of Sr-O bond lengths is 2.4822 (13)-2.8113 (13) Å. C-H⋯O and O-H⋯O hydrogen-bonding inter-actions stabilize the mol-ecules in the form of a two-dimensional polymeric network parallel to (001). One of the nitro groups is disordered over three sets of sites with the occupancy ratio of 0.46:0.32:0.22.

| S-EPMC3200748 | biostudies-literature

catena-Poly[[diaqua-cobalt(II)]-bis-(μ-4-fluoro-benzoato-κO:O')].

Project description:The hydro-thermal reaction of CoCO(3) and 4-fluoro-benzoic acid afforded the title Co(II) complex, [Co(C(7)H(4)FO(2))(2)(H(2)O)(2)](n). The Co(II) atom is located on an inversion center and is coordinated by six O atoms from two water mol-ecules and four μ(2)-carboxyl-ate groups of 4-fluoro-benzoate anions, forming a distorted CoO(6) octa-hedron, with Co-O bond lengths in the range 2.071 (2)-2.130 (2) Å. All adjacent O-Co-O angles are in the range 84.78 (6)-95.22 (6)° and opposite angles are 180.0°. Each μ-carboxyl-ate group of the 4-fluoro-benzoate anions bridges two symmetry-related Co(II) atoms. Hydrogen-bonding inter-actions of the coordinated water mol-ecules further connect the cobalt-carboxyl-ate units, forming layers perpendicular to the a axis. The cobalt-oxygen layers are encased in a sandwich-like fashion by layers of π-stacked 4-fluoro-benzoate anions. Within these layers the benzene rings of the 4-fluoro-benzoate anions are π-stacked, with centroid-centroid distances of 3.432 (4) Å.

| S-EPMC2977626 | biostudies-literature

catena-Poly[(trans-diaqua-cadmium)-bis-{?-5-[4-(1H-imidazol-1-yl)phen-yl]tetra-zol-1-ido}].

Project description:In the title compound, [Cd(C(10)H(7)N(6))(2)(H(2)O)(2)], the Cd(II) atom lies on an inversion centre and is coordinated by four N atoms from 5-[4-(1H-imidazol-1-yl)phen-yl]tetra-zol-1-ide ligands and two O atoms from the coordinated water mol-ecules in an octa-hedral arrangement. The complex polymeric chains are inter-connected via inter-molecular water O-H?N hydrogen bonds into a three-dimensional network.

| S-EPMC3344330 | biostudies-literature

Poly[[(μ-benzene-1,4-dicarboxyl-ato)bis-[μ-4-(1H-1,3,7,8-tetra-aza-cyclo-penta-[l]phenanthren-2-yl)benzoato]dizinc] tetra-hydrate].

Project description:In the title complex, [Zn(2)(C(8)H(4)O(4))(C(20)H(11)N(4)O(2))(2)]·4H(2)O, the Zn(II) atom is six-coordinated by two carboxyl-ate O atoms from one bidentate benzene-1,4-dicarboxyl-ate (1,4-BDC) ligand, two carboxyl-ate O atoms from two different monodentate 4-(1H-1,3,7,8-tetra-aza-cyclo-penta-[l]phenanthren-2-yl)benzoate (HNCP) ligands and two HNCP N atoms. The Zn(II) atoms are bridged by the centrosymmetric 1,4-BDC ligands, forming an extended single-chain structure. Neighbouring single chains are connected by the HNCP ligands from two opposite directions, resulting in a sheet. In addition, there are N-H⋯O hydrogen-bonding inter-actions between adjacent layers. As a result, the polymeric sheets are further extended into a three-dimensional supra-molecular structure.

| S-EPMC3246926 | biostudies-literature

catena-Poly[[[diaqua-bis(1H-indole-3-acetato-κO)cobalt(II)]-μ-4,4'-bipyridine-κN:N'] tetra-hydrate].

Project description:The 4,4'-bipyridine spacer in the title compound, [Co(C(10)H(8)NO(2))(2)(C(10)H(8)N(2))(H(2)O)(2)]·4H(2)O, links the diaqua-cobalt(II) dicarboxyl-ate units into a linear chain; the metal atom lies on a center of inversion in an octa-hedral environment. The coordinated and uncoordinated water mol-ecules inter-act through O-H⋯O hydrogen bonds to form a three-dimensional network.

| S-EPMC2961286 | biostudies-literature

Poly[bis-[?(3)-2-(1H-tetra-zol-1-yl)acetato]cadmium(II)].

Project description:In the title compound, [Cd(C(3)H(3)N(4)O(2))(2)](n), the Cd(II) ion, located on a twofold rotation axis, is six-coordinated by two N atoms [Cd-N = 2.368?(2)?Å] and four O atoms [Cd-O = 2.300?(1) and 2.260?(1)?Å] from six 2-(1H-tetra-zol-1-yl)acetate (L) ligands in a distorted octa-hedral geometry. The metal centres are connected via the tridentate L ligands into a three-dimensional polymeric structure.

| S-EPMC2971286 | 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