Browse
Submit Data
Databases
API
Help

Dataset Information

29 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Catena-Poly[[[aqua-(1,10-phenanthroline-κN,N')cadmium(II)]-μ-pyridine-2,3-dicarboxyl-ato-κN,O:O,O] dihydrate].

ABSTRACT: The title complex, {[Cd(C(7)H(3)NO(4))(C(12)H(8)N(2))(H(2)O)]·2H(2)O}(n), is a one-dimensional coordination polymer, wherein the Cd atom is seven-coordinated by two 1,10-phenanthroline N atoms, one N and three O atoms from two different pyridine-2,3-dicarboxyl-ate ligands, and one water mol-ecule. It is further extended to a two-dimensional layer structure by hydrogen bonds and π-π stacking inter-actions [centroid-centroid distances of 3.560 (2) and 3.666 (2) Å]. There is a C4 water chain in the structure whose repeat unit contains four water mol-ecules with O⋯O distances in the range 2.748 (3)-2.795 (4) Å. One of the two H atoms of each water of hydration is statistically distributed over two positions with equal occupancy.

SUBMITTER: Li M

PROVIDER: S-EPMC2959933 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

catena-Poly[[[(1,10-phenanthroline-κN,N')zinc]-μ-pyridine-2,3-dicarboxyl-ato-κN,O:O,O] monohydrate].

Project description:In the title complex, {[Zn(C(7)H(3)NO(4))(C(12)H(8)N(2))]·H(2)O}(n), the Zn(II) ion is in a distorted octa-hedral environment, defined by two N atoms from a chelating 1,10-phenanthroline (phen) ligand and one N atom and three O atoms from two pyridine-2,3-dicarboxyl-ate (2,3-pydc) ligands. The bridging 2,3-pydc ligands connect the Zn(II) ions into a chain extending along [010]. O-H⋯O hydrogen bonds between the uncoordinated water mol-ecules and the uncoordinated carboxyl-ate O atoms, as well as π-π inter-actions between the pyridine rings of the phen ligands [centroid-centroid distance = 3.557 (2) Å], are observed.

| S-EPMC3152098 | biostudies-literature

catena-Poly[[aqua-(1,10-phenanthroline)cadmium(II)]-μ-benzene-1,4-di-carboxyl-ato].

Project description:The title compound, [Cd(C(8)H(4)O(4))(C(12)H(8)N(2))(H(2)O)](n), is a new coordination polymer of benzene-1,4-dicarboxyl-ate with cadmium(II) and 1,10-phenanthroline. The Cd(II) ion is coordinated by two N atoms from the 1,10-phenanthroline mol-ecule, three O atoms from two crystallographically independent benzene-1,4-dicarboxyl-ate ligands and the O atom of a coordinated water mol-ecule, forming a heavily distorted octa-hedron. The 1,10-phenanthroline ligand is approximately planar within 0.073 (4) Å. The two different benzene-1,4-dicarboxyl-ate ligands each coordinate to two Cd(II) ions in bidentate and monodentate modes, forming an infinite zigzag chain. Adjacent chains are packed tightly by strong π-π inter-actions [centroid-centroid distances = 3.851 (2) and 3.859 (2) Å] between the aromatic rings of the benzene-1,4-dicarboxyl-ate ligand and the 1,10-phenanthroline of a neighboring chain, forming a sheet parallel to (011). Different sheets are linked together via O-H⋯O hydrogen bonds between the coordinated water mol-ecules and the O atoms of the carboxyl-ate groups, forming a three-dimensional network.

| S-EPMC2967922 | biostudies-literature

catena-Poly[[triaqua-cadmium(II)]-μ-pyridine-2,3-dicarboxyl-ato-κN,O:O].

Project description:The title polymeric compound, [Cd(C(7)H(3)NO(4))(H(2)O)(3)](n) or [Cd(py-2,3-dc)(H(2)O)(3)](n), where py-2,3-dcH(2) is pyridine-2,3-dicarboxylic acid, was obtained by the reaction of cadmium(II) nitrate hexa-hydrate with (pipzH(2))(py-2,3-dc) as a proton-transfer compound in aqueous solution (pipz is piperazine). The mol-ecular structure shows that only the anionic fragment of the starting proton-transfer compound is present in the complex, while the (pipzH(2))(2+) dication has been lost. Each (py-2,3-dc)(2-) ligand bridges two Cd(II) atoms in two different coordination modes, i.e. one end acts as a monodentate and the other end as a bidentate ligand. The three remaining coordination sites on the metal center are occupied by water mol-ecules. The geometric arrangement of the six donor atoms around the Cd(II) atom is distorted octa-hedral. In the crystal structure, O-H⋯O and C-H⋯O hydrogen bonds play an important role in stabilizing the supra-molecular structure.

| S-EPMC2960211 | biostudies-literature

Tetra-aqua-bis(1,10-phenanthroline)bis-[?(2)-1H-pyrazole-3,5-dicarboxyl-ato(3-)]tricopper(II) dihydrate.

Project description:The title compound, [Cu(3)(C(5)HN(2)O(4))(2)(C(12)H(8)N(2))(2)(H(2)O)(4)]·2H(2)O, is a trinuclear copper(II) complex in which two centrosymmetrically related pyrazole-3,5-dicarboxyl-ate(3-) and 1,10-phenanthroline ligands bind three Cu(II) atoms, with one Cu(II) atom located on a center of symmetry. In each complex, there are four coordinated water mol-ecules and two solvent water mol-ecules, which participate in extensive hydrogen-bond patterns. These inter-actions, as well as ?-? inter-actions between neighbouring 1,10-phenanthroline ligands [shortest atom-to-atom distance = 3.363?(3)?Å], extend the crystal structure into a three-dimensional supra-molecular network.

| S-EPMC2979153 | biostudies-literature

catena-Poly[[[aqua-(pyridine-2,6-dicarboxyl-ato N-oxide-κO,O)cobalt(II)]-μ-1,3-di-4-pyridylpropane-κN:N'] dihydrate].

Project description:In the title compound, {[Co(C(7)H(3)NO(5))(C(13)H(14)N(2))(H(2)O)]·2H(2)O}(n), the Co(II) atom is coordinated by two O atoms from a pyridine-2,6-dicarboxyl-ate N-oxide ligand, two N atoms from two 1,3-di-4-pyridylpropane ligands and one water mol-ecule, and displays a distorted square-pyramidal coordination geometry. The 1,3-di-4-pyridylpropane ligands link the Co(II) atoms into an infinite zigzag chain parallel to [010]. The chains are further linked through O-H⋯O and C-H⋯O hydrogen bonds, forming a three-dimensional supra-molecular network.

| S-EPMC2959606 | biostudies-literature

Aqua-(benzene-1,2-dicarboxyl-ato-κO)bis-[2-(1H-pyrazol-3-yl-κN)pyridine-κN]cadmium(II).

Project description:In the mononuclear title complex, [Cd(C(8)H(4)O(4))(C(8)H(7)N(3))(2)(H(2)O)], the Cd(II) atom is six-coordinated in a distorted octa-hedral geometry by four N atoms from two bidentate chelating 2-(1H-pyrazol-3-yl)pyridine ligands, one O atom from a benzene-1,2-dicarboxyl-ate ligand and one water mol-ecule. The mol-ecular structure features intra-molecular O-H⋯O and N-H⋯O hydrogen bonds. In the crystal structure, the complex mol-ecules are assembled into a two-dimensional supra-molecular layer parallel to (011) via O-H⋯O and N-H⋯O hydrogen bonds and π-π stacking inter-actions between the pyridyl and pyrazole rings [centroid-centroid distances = 3.544 (2) and 3.722 (3) Å].

| S-EPMC2983402 | biostudies-literature

Bis[[aqua-(1H-imidazo[4,5-f][1,10]phenanthroline-?N,N)cadmium]bis-(?-pyridine-2,3-dicarboxyl-ato)-?N,O:O;?O:N,O].

Project description:In the title compound, [Cd(2)(C(7)H(3)NO(4))(2)(C(13)H(8)N(4))(2)(H(2)O)(2)], the Cd(II) ion is six-coordinated by two N atoms from a 1H-imidazo[4,5-f][1,10]phenanthroline (IP) ligand, one N atom and one O atom from a pyridine-2,3-dicarboxyl-ate (pdc) ligand, one O atom from another pdc ligand and one water mol-ecule in a distorted octa-hedral geometry. Two Cd(II) ions are bridged by a pair of pdc ligands, forming a centrosymmetric dinuclear structure. Neighboring dinuclear units are linked by the coordinated water mol-ecules through O-H?N and O-H?O hydrogen bonds, forming a layer parallel to (011). The layers are further linked into a three-dimensional network through N-H?O hydrogen bonds. ?-? inter-actions between the IP ligands further stabilize the supra-molecular structure [centroid-centroid distances = 3.579?(3), 3.686?(3), 3.710?(3), 3.766?(3) and 3.841?(3)?Å].

| S-EPMC3297253 | biostudies-literature

Poly[(μ(3)-biphenyl-3,3'-dicarboxyl-ato)(1,10-phenanthroline)cadmium].

Project description:In the title compound, [Cd(C(14)H(8)O(4))(C(12)H(8)N(2))](n), the Cd(II) ion is seven-coordinated in a distorted penta-gonal-bipyramidal coordination geometry by five O atoms from bridging biphenyl-3,3'-dicarboylate (dpda) ligands and two N atoms from a 1,10-phenanthroline (1,10-phen) ligand. In the crystal, dinuclear units with a Cd⋯Cd separation of 3.8208 (7) Å are observed. Each of these dinuclear units is bridged via 3,3'-bpda in a chelating/chelating and bridging fashion, generating a zigzag chain along the c axis. Neighboring chains are further packed via weak π-π inter-actions between inter-chain parallel 1,10-phen rings [centroid-centroid distance = 3.5197 (9) Å] into a three-dimensional supra-molecular architecture.

| S-EPMC3246978 | biostudies-literature

Tetra-aqua-(1,10-phenanthroline-?N,N')cadmium(II) sulfate dihydrate.

Project description:In the title mononuclear complex, [Cd(C(12)H(8)N(2))(H(2)O)(4)]SO(4)·2H(2)O, the coordination geometry around the Cd(II) atom is a distorted octa-hedron, with two aqua ligands occupying the axial positions. Inter-molecular O-H?O hydrogen bonds lead to the formation of a two-dimensional layer structure parallel to (001). The layers are connected by ?-? inter-actions between the pyridyl and benzene rings of the phenanthroline ligands [centroid-centroid distances = 3.591?(1) and 3.610?(1)?Å].

| S-EPMC3007401 | biostudies-literature

catena-Poly[[[aqua-bis(1H-imidazole-κN)copper(II)]-μ-naphthalene-1,4-dicarboxyl-ato-κO:O] dihydrate].

Project description:In the title compound, {[Cu(C(12)H(6)O(4))(C(3)H(4)N(2))(2)(H(2)O)]·2H(2)O}(n), the Cu(II) cation is coordinated by two naphthalene-1,4-dicarboxyl-ate (naph) dianions, two imidazole mol-ecules and one water mol-ecule in a distorted square-pyramidal geometry. The Cu-O bond distance in the apical direction is 0.509 (3) Å longer than the mean Cu-O bond distance in the basal plane. The naph dianion bridges two Cu(II) cations, forming a one-dimensional polymeric chain. The coordinated water mol-ecule is hydrogen-bonded to the carboxylate groups and imidazole ligands of adjacent polymeric chains, forming a three-dimensional supra-molecular structure. No π-π stacking is observed in the crystal structure. One solvent water molecule is disordered equally over two positions.

| S-EPMC2961746 | 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