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Poly[tri-μ(2)-aqua-(μ(3)-pyridine-2,4-dicarboxyl-ato-κN,O:O:O)barium].

ABSTRACT: In the polymeric title compound, [Ba(C(7)H(3)NO(4))(H(2)O)(3)](n), the Ba(II) ion is ten-coordinated in an NO(9) environment by one N atom and three O atoms from three pyridine-2,4-dicarboxyl-ate (pydc) ligands and six water mol-ecules. The μ(3)-pydc ligands and the bridging water mol-ecules connect the Ba atoms into a layer parallel to (100). The crystal packing is stabilized by O-H⋯O and C-H⋯O hydrogen bonds.

SUBMITTER: Pasdar H

PROVIDER: S-EPMC3151937 | biostudies-literature | 2011 Jul

REPOSITORIES: biostudies-literature

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Poly[tri-μ(2)-aqua-(μ(3)-pyridine-2,4-dicarboxyl-ato-κN,O:O:O)barium].

Pasdar Hoda H Siabi Shadi S Notash Behrouz B Aghabozorg Hossein H Foroughifar Naser N

Acta crystallographica. Section E, Structure reports online 20110604 Pt 7

In the polymeric title compound, [Ba(C(7)H(3)NO(4))(H(2)O)(3)](n), the Ba(II) ion is ten-coordinated in an NO(9) environment by one N atom and three O atoms from three pyridine-2,4-dicarboxyl-ate (pydc) ligands and six water mol-ecules. The μ(3)-pydc ligands and the bridging water mol-ecules connect the Ba atoms into a layer parallel to (100). The crystal packing is stabilized by O-H⋯O and C-H⋯O hydrogen bonds. ...[more]

PMID: 21836851

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Poly[μ(6)-pyridine-2,4-dicarboxyl-ato-barium].

Project description:In the title complex, [Ba(C(7)H(3)NO(4))](n), the coordination geometry around the Ba(II) ion can be described as a distorted bicapped trigonal-prismatic BaNO(7) arrangement. The pyridine-2,4-dicarb-oxy-lic acid ligands exhibit a new coordination mode. Adjacent metal centers are linked by the O atoms of the pyridine-2,4-dicarb-oxy-lic acid ligands, and then form a three-dimensional supra-molecular polymeric framework.

| S-EPMC3006690 | biostudies-literature

Poly[μ(2)-aqua-aqua-μ(4)-pyridine-2,4-dicarboxyl-ato-strontium].

Project description:In the title polymeric complex, [Sr(C(7)H(3)NO(4))(H(2)O)(2)](n), the Sr(II) atom is eight-coordinated by four O atoms and one N atom of four pyridine-2,4-dicarboxyl-ate (py-2,4-dc) ligands and three O atoms of three coordinated water mol-ecules in a dodeca-hedral geometry. These units are connected via the carboxyl-ate O atoms and water mol-ecules, building polymeric layers parallel to (100). In the crystal structure, non-covalent inter-actions consisting of O-H⋯O hydrogen bonds and π-π stacking inter-actions [centroid-centroid distances = 3.862 (17) and 3.749 (17) Å] connect the various components, forming a three-dimensional structure.

| S-EPMC2977487 | biostudies-literature

Poly[[dodeca-aqua-bis-(μ(3)-pyridine-2,6-dicarboxyl-ato)tetra-kis-(μ(2)-pyridine-2,6-dicarboxyl-ato)tri-calciumdieuropium(III)] 10.5-hydrate].

Project description:In the title compound, {[Ca(3)Eu(2)(C(7)H(3)NO(4))(6)(H(2)O)(12)]·10.5H(2)O}(n), the Eu(III) ion is nine-coordinated by three tridentate pyridine-2,6-dicarboxyl-ate (PDA) ligands, forming a [Eu(PDA)(3)](3-) building block. The Ca(2+) ions adopt two types of coordination geometries. One Ca(2+) ion, lying on a twofold rotation axis, is eight-coordinated by four carboxyl-ate O atoms from four PDA ligands and four water mol-ecules, and the other two Ca(2+) ions, each lying on an inversion center, are six-coordinated by two carboxyl-ate O atoms from two PDA ligands and four water mol-ecules. The carboxyl-ate groups bridge the Eu(III) and Ca(2+) ions into a three-dimensional porous framework, with channels extending along [010] and [001] in which lattice water mol-ecules are located. Two of the lattice water mol-ecules are disordered over two sets of sites with equal occupancy and one water mol-ecule is 0.25-occupied. Numerous O-H⋯O hydrogen bonds involving the water mol-ecules and carboxyl-ate O atoms are present.

| S-EPMC3344405 | biostudies-literature

Poly[hexa-aqua-hexa-kis-(μ-pyridine-2,4-dicarboxyl-ato)tricopper(II)dieuropium(III)].

Project description:The asymmetric unit of the title heterometallic coordination polymer, [Cu(3)Eu(2)(C(7)H(3)NO(4))(6)(H(2)O)(6)](n), contains one Eu(III) and two Cu(II) atoms, three pyridine-2,4-dicarboxylate (pdc)(2-) anions and three water molecules. One Cu(II) atom is located on an inversion center and is N,O-chelated by two pdc(2-) anions in the equatorial plane and further coordinated by two carboxyl-ate O atoms from another two pdc anions in the axial positions, with an elongated octa-hedral geometry [Cu-O = 2.409 (3) Å in the axial direction]; the other Cu atom is N,O-chelated by two pdc anions in the coordination basal plane and coordinated by a carboxyl O atom at the apical position with a distorted square-pyramidal geometry [Cu-O = 2.359 (3) Å in the apical direction]. The Eu atom is eight-coordinated with a distorted square-anti-prismatic geometry formed by five carboxyl-ate O atoms from five pdc anions and three water mol-ecules. The carboxyl-ate anions bridge adjacent Eu and Cu atoms, forming the coordination polymer. Inter- and intra-molecular O-H⋯O hydrogen bonding occurs in the structure. π-π stacking further consolidates the crystal structure, the centroid-centroid distance between parallel pyridine rings being 3.367 (2) Å.

| S-EPMC3011568 | biostudies-literature

Poly[triaqua-μ(4)-pyridine-3,5-dicarboxyl-ato-barium(II)].

Project description:The reaction of the proton-transfer compound (pdaH(2))(py-3,5-dc)·H(2)O (pda = propane-1,3-diamine and py-3,5-dcH(2) = pyridine-3,5-dicarboxylic acid) with Ba(NO(3))(2) leads to the formation of the title polymeric compound, [Ba(C(7)H(3)NO(4))(H(2)O)(3)](n). The Ba(II) atom is nine-coordinated by six carboxyl-ate O atoms from the (py-3,5-dc)(2-) ligands, and three O atoms from the coordinated water mol-ecules. The coordination polyhedron around the Ba(II) atom is best described as tricapped trigonal-prismatic. In the crystal structure, inter-molecular inter-actions, such as X-H⋯O hydrogen bonds (X = O and C) and π-π stacking [centroid-centroid distances between pyridine rings of 3.6191 (13) and 3.6192 (13) Å] play an important role in stabilizing the supramolecular structure.

| S-EPMC2960421 | biostudies-literature

Poly[μ-aqua-aqua-μ4-naphthalene-1,8-dicarboxyl-ato-barium]: a layer structure.

Project description:The title compound, [Ba(C12H6O4)(H2O)2] n , is represented by a layer-like structure built of BaO8 polyhedra. The asymmetric unit contains a Ba(2+) ion, half a coordinating water mol-ecule and half a μ4-bridging naphthalene-1,8-dicarboxyl-ate (1,8-nap) ligand, the whole structure being generated by twofold rotational symmetry. The carboxyl-ate groups of the 1,8-nap ligands act as bridges linking four Ba(2+) ions, while each Ba(2+) ion is eight-coordinated by O atoms from four 1,8-nap ligands and two coordinating water mol-ecules. In the crystal, there are O-H⋯O hydrogen bonds involving the water mol-ecules and carboxyl-ate O atoms in the BaO8 polyhedra. Each BaO8 polyhedron is connected via corner-sharing water O atoms or edge-sharing ligand O atoms, forming a sheet parallel to the bc plane. These sheets stack along the a-axis direction and are connected via van der Waals forces only. The naphthalene groups protrude above and below the layers of the BaO8 polyhedra and there are voids of ca 208 Å(3) bounded by these groups. No residual electron density was found in this region. The crystal studied was twinned by pseudo-merohedry, with a refined twin component ratio of 0.5261 (1):0.4739 (1).

| S-EPMC3629495 | biostudies-literature

Poly[di-μ(2)-aqua-μ(5)-(pyridine-2,6-dicarboxyl-ato)-μ(3)-(pyridine-2,6-dicarboxyl-ato)-cobalt(II)disodium].

Project description:In the title compound, [CoNa(2)(C(7)H(3)NO(4))(2)(H(2)O)(2)](n), the Co(II) atom is coordinated by two pyridine N atoms and four carboxyl-ate O atoms from two doubly deprotonated pyridine-2,6-dicarboxyl-ate ligands in a distorted octa-hedral geometry. One Na(+) cation is coordinated by three carboxyl-ate O atoms and two water mol-ecules and the other is coordinated by five carboxyl-ate O atoms and two water mol-ecules in an irregular geometry. The bis-(pyridine-2,6-dicarboxyl-ato)cobalt complex units are connected by Na(+) cations and bridging water mol-ecules into a three-dimensional coordination network. O-H⋯O hydrogen bonds are formed between the water mol-ecules and the carboxyl-ate O atoms.

| S-EPMC3238695 | biostudies-literature

Poly[[tetra-aqua-bis-(μ(3)-pyridine-2,6-dicarboxyl-ato)(μ(2)-pyridine-2,6-dicarboxyl-ato)dilanthanum(III)] dihydrate].

Project description:There are two independent La(III) cations in the polymeric title compound, {[La(2)(C(7)H(3)NO(4))(3)(H(2)O)(4)]·2H(2)O}(n). One is nine-coordinated in an LaN(2)O(7) tricapped trigonal-prismatic geometry formed by three pyridine-2,6-dicarboxyl-ate anions and two water mol-ecules, while the other is ten-coordinated in an LaNO(9) bicapped square-anti-prismatic geometry formed by four pyridine-2,6-dicarboxyl-ate anions and two water mol-ecules. The two La(III) cations are separated by a non-bonding distance of 5.026 (3) Å. The pyridine-2,6-dicarboxyl-ate anions bridge the La(III) cations, forming a three-dimensional polymeric complex. The crystal structure contains extensive classical O-H⋯O hydrogen bonds and weak inter-molecular C-H⋯O hydrogen bonds. The crystal structure is further consolidated by π-π stacking between pyridine rings, the shortest centroid-centroid distance between parallel pyridine rings being 3.700 (5) Å.

| S-EPMC3200968 | biostudies-literature

Poly[[hexa-aqua-(μ(2)-oxalato-κO,O:O,O)bis(μ(3)-pyridine-2,4-dicarboxyl-ato-κN,O:O:O)dicerium(III)] monohydrate].

Project description:In the polymeric title compound, {[Ce(2)(C(7)H(3)NO(4))(2)(C(2)O(4))(H(2)O)(6)]·H(2)O}(n), the Ce(3+) cation is nine-coordinated in a distorted CeNO(8) tricapped trigonal-prismatic geometry, formed by three pyridine-2,4-dicarboxyl-ate anions, one oxalate anion and three water mol-ecules. The mid-point of the oxalate anion is located on an inversion center. The oxalate and pyridine-2,4-dicarboxyl-ate anions bridge the Ce(3+) cations, forming a two-dimensional polymeric complex parallel to (010). Inter-molecular classical O-H⋯O hydrogen bonding and weak C-H⋯O hydrogen bonding are present in the crystal structure and π-π stacking [centroid-centroid distance = 3.558 (2) Å] is observed between parallel pyridine rings of adjacent mol-ecules. The uncoordinated water mol-ecule shows an occupancy of 0.5.

| S-EPMC3254299 | biostudies-literature

Poly[[hexa-aqua-(μ(2)-oxalato-κO,O:O,O)bis-(μ(3)-pyridine-2,4-dicarboxyl-ato-κN,O:O:O)dilanthanum(III)] monohydrate].

Project description:In the polymeric title compound, {[La(2)(C(7)H(3)NO(4))(2)(C(2)O(4))(H(2)O)(6)]·H(2)O}(n), the La(3+) cation is nine-coordinated in a distorted LaNO(8) tricapped trigonal-prismatic geometry formed by three pyridinedicarboxylate anions, one oxalate anion and three water mol-ecules. The oxalate anion is located on an inversion center. The oxalate and pyridine-dicarboxyl-ate anions bridge the La(3+) cations, forming a two-dimensional polymeric complex parallel to (010). Inter-molecular O-H⋯O hydrogen bonding and weak C-H⋯O hydrogen bonding is present in the crystal structure and π-π stacking [centroid-centroid distance = 3.571 (3) Å] is observed between parallel pyridine rings of adjacent mol-ecules. The uncoordinated water molecule shows an occupancy of 0.5.

| S-EPMC3238643 | biostudies-literature

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