Browse
Submit Data
Databases
API
Help

Dataset Information

45 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Catena-Poly[[[bis-(3-amino-pyrazine-2-carboxyl-ato)triaqua-praseodymium(III)]-μ-3-amino-pyrazine-2-carboxyl-ato-[(3-amino-pyrazine-2-carboxyl-ato)diaqua-formatopraseodymium(III)]-μ-3-amino-pyrazine-2-carboxyl-ato] hexa-hydrate].

ABSTRACT: The asymmetric unit of the polymeric title compound, {[Pr(2)(C(5)H(4)N(3)O(2))(5)(CHO(2))(H(2)O)(5)]·6H(2)O}(n), has two independent Pr(III) atoms; one is coordinated by two water mol-ecules and the other by three water mol-ecules. The first is N,O-chelated by three 3-amino-pyrazine-2-carboxyl-ate ions, whereas the second is chelated by two carboxyl-ate ions; both exist in a monocapped square-anti-prismatic geometry. The polymeric chains that run along the a axis inter-act with the lattice water mol-ecules, generating a three-dimensional hydrogen-bonded network. The formate ion is disordered over two positions with respect to the non-coordinated atoms in a 1:1 ratio.

SUBMITTER: Gao S

PROVIDER: S-EPMC3200950 | biostudies-literature | 2011 Sep

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

catena-Poly[[[bis-(3-amino-pyrazine-2-carboxyl-ato)triaqua-praseodymium(III)]-μ-3-amino-pyrazine-2-carboxyl-ato-[(3-amino-pyrazine-2-carboxyl-ato)diaqua-formatopraseodymium(III)]-μ-3-amino-pyrazine-2-carboxyl-ato] hexa-hydrate].

Gao Shan S Ng Seik Weng SW

Acta crystallographica. Section E, Structure reports online 20110811 Pt 9

The asymmetric unit of the polymeric title compound, {[Pr(2)(C(5)H(4)N(3)O(2))(5)(CHO(2))(H(2)O)(5)]·6H(2)O}(n), has two independent Pr(III) atoms; one is coordinated by two water mol-ecules and the other by three water mol-ecules. The first is N,O-chelated by three 3-amino-pyrazine-2-carboxyl-ate ions, whereas the second is chelated by two carboxyl-ate ions; both exist in a monocapped square-anti-prismatic geometry. The polymeric chains that run along the a axis inter-act with the lattice water ...[more]

PMID: 22065704

Similar Datasets

Tris(3-amino-pyrazine-2-carboxyl-ato-?N,O)diaqua-erbium(III) tetra-hydrate.

Project description:The water-coordinated Er(III) atom in the title compound, [Er(C(5)H(4)N(3)O(2))(3)(H(2)O)(2)]·4H(2)O, is N,O-chelated by three 3-amino-pyrazine-2-carboxyl-ate ions and has a square-anti-prismatic geometry. The mononuclear mol-ecule inter-acts with the solvent water mol-ecules to generate a three-dimensional hydrogen-bonded network.

| S-EPMC3200703 | biostudies-literature

Bis(3-amino-pyrazine-2-carboxyl-ato-κN,O)diaqua-manganese(II) mono-hydrate.

Project description:In the title compound, [Mn(C(5)H(4)N(3)O(2))(2)(H(2)O)(2)]·H(2)O, the Mn(II) cation, located on a twofold rotation axis, is N,O-chelated by two 3-amino-pyrazine-2-carboxyl-ate anions and coordin-ated by two water mol-ecules in a distorted octa-hedral geometry. The uncoordinated water mol-ecules lies on a twofold rotation axis. Adjacent mol-ecules are linked by O-H⋯O and N-H⋯O hydrogen bonds into a three-dimensional network motif.

| S-EPMC2983226 | biostudies-literature

catena-Poly[[[diaqua-nickel(II)]-μ-pyrazine-2-carboxyl-ato-silver(I)-μ-pyrazine-2-carboxyl-ato] nitrate dihydrate].

Project description:In the polymeric complex of the title compound, {[AgNi(C(5)H(3)N(2)O(2))(2)(H(2)O)(2)]NO(3)·2H(2)O}(n), the Ag(I) ion displays an angular coordination geometry with two N atoms from pyrazine-2-carboxyl-ate ligands, and the Ni(II) ion is hexa-coordinated by two O atoms from two water mol-ecules, two O and two N atoms from pyrazine-2-carboxyl-ate ligands in a distorted octa-hedral geometry. In the crystal, the Ag(I) and Ni(II) ions lie on a mirror plane and an inversion centre, respectively. The complex chains, the nitrate ions and the uncoordinated water mol-ecules are linked together through O-H⋯O hydrogen bonds and weak Ag⋯O inter-actions [2.619 (17)-2.749 (17) Å] into a three-dimensional network.

| S-EPMC3344408 | biostudies-literature

Poly[diaqua-μ-oxalato-μ-pyrazine-2-carbox-yl-ato-lanthanum(III)].

Project description:In the title complex, [La(C(5)H(3)N(2)O(2))(C(2)O(4))(H(2)O)(2)](n), the La(III) ion is coordinated by one N and three O atoms from two pyrazine-2-carboxylate ligands, by four O atoms from two oxalate ligands and by two O atoms of two water molecules, displaying a distorted bicapped square-anti-prismatic geometry. The carboxyl-ate groups of pyrazine-2-carboxyl-ate and oxalate ligands link the lanthanum metal centres, forming layers parallel to (10). The layers are further connected by inter-molecular O-H⋯O and N-H⋯O hydrogen-bonding inter-actions, forming a three-dimensional supra-molecular network.

| S-EPMC2967913 | biostudies-literature

Poly[diaqua(μ(2)-oxalato-κO,O:O,O)(μ(2)-pyrazine-2-carboxyl-ato-κN,O:O')cerium(III)].

Project description:In the hydro-thermally synthesized title compound, [Ce(C(5)H(3)N(2)O(2))(C(2)O(4))(H(2)O)(2)](n), the Ce(III) ion is coordinated by four O atoms from two different oxalate ligands, three O atoms from two symmetry-related pyrazine-2-carboxyl-ate ligands, two O atoms from two water melecules and one N atom from a pyrazine-2-carboxyl-ate ligand in a distorted bicapped square-anti-prismatic coordination geometry. The oxalate and pyrazine-2-carboxyl-ate ligands bridge the Ce(III) ions, forming a two-dimensional structure. In addition, inter-molecular O-H⋯O and O-H⋯N hydrogen bonds connect the two-dimensional structure into a three-dimensional network.

| S-EPMC2959293 | biostudies-literature

Bis(3-amino-pyrazine-2-carboxyl-ato-κN,O)diaqua-manganese(II).

Project description:The Mn(II) atom in the title compound, [Mn(C(5)H(4)N(3)O(2))(2)(H(2)O)(2)], exhibits an octa-hedral geometry comprising the two O atoms and two N atoms from two 3-amino-pyrazine-2-carboxyl-ate ligands, which act as chelating ligands, and two water mol-ecules. An intra-molecular N-H⋯O hydrogen bond occurs. In the crystal, N-H⋯O, O-H⋯N and O-H⋯O hydrogen bonds link adjacent mol-ecules into a three-dimensional network. The mol-ecule lies on a twofold rotation axis.

| S-EPMC2983285 | biostudies-literature

(μ-Butane-1,2,3,4-tetra-carboxyl-ato)bis-[triaqua-(1,10-phenanthroline)nickel(II)] hexa-hydrate.

Project description:The asymmetric unit of the title compound, [Ni(2)(C(8)H(6)O(8))(C(12)H(8)N(2))(2)(H(2)O)(6)]·6H(2)O, contains a half of the centrosymmetric dinuclear complex mol-ecule and three uncoordinated water mol-ecules. In the dinuclear mol-ecule, two Ni(II) cations are bridged by the butane-1,2,3,4-tetra-carboxyl-ate (BTC(4-)) anion. Each Ni(II) atom is coordinated by two N atoms from the 1,10-phenanthroline ligand, one O atom from the BTC(4-) anion and three aqua ligands in a distorted octa-hedral geometry. Inter-molecuar O-H⋯O hydrogen bonds and π-π stacking inter-ations [centroid-centroid distances = 3.646 (2), 3.781 (2) and 3.642 (2) Å] consolidate the crystal packing.

| S-EPMC3011463 | biostudies-literature

Poly[diaqua-(μ-oxalato)(μ-2-oxidopyridinium-3-carboxyl-ato)lanthanum(III)].

Project description:In the title complex, [La(C(6)H(4)NO(3))(C(2)O(4))(H(2)O)(2)](n), the La(III) ion is coordinated by eight O atoms from two 2-oxido-pyridinium-3-carboxyl-ate ligands, two oxalate ligands and two water mol-ecules in a distorted bicapped square-anti-prismatic geometry. The carboxyl-ate groups link adjacent La(III) ions, forming two-dimensional layers that are further linked by N-H⋯O and O-H⋯O hydrogen bonds.

| S-EPMC2969809 | biostudies-literature

catena-Poly[[diaqua-rubidium(I)](μ(2)-3-carboxy-pyrazine-2-carboxyl-ato)(μ(2)-pyrazine-2,3-dicarboxylic acid)].

Project description:The structural unit of the title compound, [Rb(C(6)H(3)N(2)O(4))(C(6)H(4)N(2)O(4))(H(2)O)(2)](n), consists of one rubidium cation, one hydrogen pyrazine-2,3-dicarboxyl-ate anion, one pyrazine-2,3-dicarboxylic acid mol-ecule and two water mol-ecules. This formulation is repeated twice in the asymmetric unit as the rubidium cation lies on an inversion centre. Each anion or acid mol-ecule is linked to two rubidium cations, while the rubidium cation has close contacts to four symmetry-equivalent organic ligands, with two different coordination modes towards this cation. In addition, each rubidium cation is coordinated by two water O atoms, raising the coordination number to eight. One of the carboxyl groups of the acid holds its H atom, which forms a hydrogen bond to a coordinated water mol-ecule. The other carboxyl group is deprotonated in half of the ligands and protonated in the other half, taking part in a strong O-H⋯O hydrogen bond disordered over an inversion centre. The stabil-ization of the crystal structure is further assisted by O-H⋯O and O-H⋯N hydrogen-bonding inter-actions involving the water mol-ecules and carboxyl-ate O atoms.

| S-EPMC2968173 | biostudies-literature

Poly[diaqua-(μ(2)-oxalato-κO,O:O,O)(μ(2)-pyrazine-2-carboxyl-ato-κN,O:O,O')neodymium(III)].

Project description:In the title complex, [Nd(C(5)H(3)N(2)O(2))(C(2)O(4))(H(2)O)(2)](n), the Nd(III) atom is ten-coordinated by one N atom and three O atoms from two pyrazine-2-carboxyl-ate ligands, four O atoms from two oxalate ligands and two water mol-ecules in a distorted bicapped square-anti-prismatic geometry. The two crystallographically independent oxalate ligands, each lying on an inversion center, act as bridging ligands, linking Nd atoms into an extended zigzag chain. Neighboring chains are linked by the pyrazine-2-carboxyl-ate ligands into a two-dimensional layerlike network in the (10) plane. The layers are further connected by O-H⋯O and O-H⋯N hydrogen bonds, forming a three-dimensional supra-molecular network.

| S-EPMC2969933 | 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