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Poly[[tetra-aqua-tetra-kis-[μ(3)-5-(pyridine-4-carboxamido)-isophthalato]-cobalt(II)-diholmium(III)] tetra-hydrate].

ABSTRACT: In the centrosymmetric polymeric title compound, {[CoHo(2)(C(14)H(8)N(2)O(5))(4)(H(2)O)(4)]·4H(2)O}(n), the Ho(III) ion is coordinated by one water mol-ecule and four 5-(pyridine-4-carboxamido)-isophthalate (L) ligands in a distorted square-anti-prismatic arrangement. The Co(II) ion, located on an inversion center, is coordinated by two pyridine N atoms, two carboxyl-ate O atoms and two water mol-ecules in a distorted octa-hedral geometry. One L ligand bridges two Ho ions and one Co ion through two carboxyl-ate groups and one pyridine N atom. The other L ligand bridges two Ho ions and one Co ion through two carboxyl-ate groups, while the uncoordinated pyridine N atom accepts a hydrogen bond from an adjacent coordinated water mol-ecule. Extensive O-H⋯O, N-H⋯O and O-H⋯N hydrogen bonding is present in the crystal.

SUBMITTER: Deng YF

PROVIDER: S-EPMC3246991 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Poly[[tetra-aqua-tetra-kis-[μ(3)-5-(pyridine-4-carboxamido)-isophthalato]cobalt(II)dierbium(III)] tetra-hydrate].

Project description:In the centrosymmetric polymeric title compound, {[CoEr(2)(C(14)H(8)N(2)O(5))(4)(H(2)O)(4)]·4H(2)O}(n), the Er(III) cation has a coordination number of eight and is surrounded by seven carboxyl-ate O atoms from four 5-(pyridine-4-carboxamido)-isophthalate (L) ligands and one water mol-ecule, forming a distorted square-anti-prismatic arrangement. The Co(II) cation is located on an inversion center and is coordinated by two pyridine N atoms, two carboxyl-ate O atoms and two water mol-ecules in a distorted octa-hedral geometry. The asymmetric unit contains two anionic L ligands. One bridges two Er(III) cations and one Co(II) cation through two carboxyl-ate groups and one pyridine N atom, while the other bridges two Er(III) cations and one Co(II) cation through two carboxyl-ate groups. Extensive O-H⋯O, O-H⋯N and N-H⋯O hydrogen-bonding inter-actions are present in the crystal, involving all uncoordinated water mol-ecules and the uncoordinated pyridine N atom of one of the ligands bonded to an adjacent coordinated water mol-ecule. The title compound is isotypic with the gadolinium analogue.

| S-EPMC3246915 | biostudies-literature

Poly[[tetra-aqua-tetra-kis-[?3-5-(pyridine-4-carboxamido)-isophthalato]nickel(II)diterbium(III)] tetra-hydrate].

Project description:In the title compound, {[NiTb2(C14H8N2O5)4(H2O)4]·4H2O} n , the Tb(III) ion is coordinated by one water mol-ecule and seven O atoms from four 5-(pyridine-4-carboxamido)-isophthalate (L) ligands in a distorted square-anti-prismatic arrangement, while the Ni(II) ion, lying on an inversion center, is six-coordinated in an octa-hedral geometry by two pyridine N atoms, two carboxyl-ate O atoms and two water mol-ecules. One L ligand bridges two Tb(III) ions and one Ni(II) ion through two carboxyl-ate groups and one pyridine N atom. The other L ligand bridges two Tb(III) ions and one Ni(II) ion through two carboxyl-ate groups, while the uncoordinating pyridine N atom is hydrogen bonded to an adjacent coordinating water mol-ecule. Extensive O-H?O, N-H?O and O-H?N hydrogen bonds play an important role in stabilizing the crystal structure.

| S-EPMC3772404 | biostudies-literature

Poly[[tetra-aquatetrakis-[?(3)-5-(pyridine-4-carboxamido)-isophthalato]cobalt(II)digadolinium(III)] tetra-hydrate].

Project description:In the centrosymmetric polymeric title compound, {[CoGd(2)(C(14)H(8)N(2)O(5))(4)(H(2)O)(4)]·4H(2)O}(n), the Gd(III) cation is coordinated by one water mol-ecule and four pyridine-4-carboxamido-isophthalate (L) anions in a distorted square-anti-prismatic arrangement, while the Co(II) cation, located on an inversion center, is coordinated by two pyridyl-N atoms, two carboxyl-ate-O atoms and two water mol-ecules in a distorted octa-hedral geometry. The asymmetric unit contains two anionic L ligands: one bridges two Gd cations and one Co cation through two carboxyl groups and one pyridine-N atom; the other bridges two Gd cations and one Co cation through two carboxyl groups and the uncoordinated pyridine-N atom is hydrogen-bonded to the adjacent coordinated water mol-ecule. Extensive O-H?O and N-H?O hydrogen bonds are present in the crystal structure.

| S-EPMC3201412 | biostudies-literature

catena-Poly[[[diaqua-iron(II)]-μ-pyridine-2,5-dicarboxyl-ato-[tetra-aqua-iron(II)]-μ-pyridine-2,5-dicarboxyl-ato] tetra-hydrate].

Project description:In the crystal structure of the title compound, {[Fe(2)(C(7)H(3)NO(4))(2)(H(2)O)(6)]·4H(2)O}(n), there are two types of coordination for the Fe(II) atoms. One Fe(II) atom is in a distorted octa-hedral N(2)O(4) environment, with two chelating rings from the pyridine-dicarboxyl-ate ligands and two O atoms from the water mol-ecules, while the other is in a distorted octa-hedral O(6) environment with two O atoms from the pyridine-dicarboxyl-ate ligands and four O atoms from the water mol-ecules. Both Fe(II) atoms lie on crystallographic centers of symmetry. The complex possesses an infinite chain structure running along the [101] direction. These chains are inter-connected by the uncoordinated water mol-ecules through O-H⋯O hydrogen bonds.

| S-EPMC2960407 | biostudies-literature

catena-Poly[[aqua-(2,2'-bipyridyl)cobalt(II)]-μ-5-nitro-isophthalato].

Project description:In the crystal structure of the title compound, [Co(C(8)H(3)NO(6))(C(10)H(8)N(2))(H(2)O)](n), there are two symmetry-independent one-dimensional coordination polymers, which are approximately related by noncrystallographic inversion symmetry. Each zigzag chain is constructed from one Co(II) ion, one O-monodentate 5-nitro-isophthalate (ndc) dianion, one N,N'-bidentate 2,2'-bipyridyl ligand and one water mol-ecule. A symmetry-generated O,O'-bidentate ndc dianion completes the cobalt coordination environment, which could be described as very distorted cis-CoN(2)O(4) octa-hedral. The bridging ndc ligands result in parallel chains running along the a direction, and O-H⋯O hydrogen bonds arising from the water mol-ecules complete the structure.

| S-EPMC2960127 | biostudies-literature

catena-Poly[[[tetra-kis-(4-methyl-pyridine-κN)copper(II)]-μ-sulfato-κO:O'] 4.393-hydrate].

Project description:The structure of the title compound, {[Cu(SO(4))(C(6)H(7)N)(4)]·4.393H(2)O}(n), consists of Cu(2+) ions surrounded in a square-planar fashion by 4-methyl-pyridine ligands, forming two crystallographically independent Cu{H(3)C(C(5)H(4)N)}(4) units that are both located on crystallographic inversion centers. The Cu(4-methyl-pyridine)(4) units are, in turn, connected with each other via bridging sulfate anions, leading to the formation of infinite [Cu{H(3)C(C(5)H(4)N)}(4)SO(4)](n) zigzag chains along [001]. The completed coordination spheres of the Cu(2+) ions are slightly distorted octa-hedral. The axial Cu-O bonds are elongated [average length = 2.42 (4) Å] compared to the equatorial Cu-N bonds [average length = 2.043 (2) Å]. The inter-stitial space between the chains is filled with uncoordinated water mol-ecules that consolidate the structure through O-H⋯O hydrogen bonding. One of the five crystallographically independent solvent water mol-ecules is partially occupied with an occupancy factor of 0.396 (4). Due to hydrogen bonding between symmetry-equivalent water mol-ecules across inversion centers, several of the water H atoms are disordered in 1:1 ratios over mutually exclusive positions. The crystal under investigation was found to be non-merohedrally twinned in a 0.789 (1):0.211 (1) ratio by a 180° rotation around the reciprocal b axis.

| S-EPMC3051987 | biostudies-literature

Poly[[[μ(3)-5-(pyridine-4-carboxamido)-isophthalato]{μ(3)-5-[(pyridin-1-ium-4-yl)carbonyl-amino]-isophthalato}-neodymium(III)] dihydrate].

Project description:In the title compound, {[Nd(C(14)H(9)N(2)O(5))(C(14)H(8)N(2)O(5))]·2H(2)O}(n), the Nd(III) atom is eight-coordinated as it is surrounded by eight carboxyl-ate O atoms from six ligands in a distorted square-anti-prismatic arrangement. The Nd(III) atoms are linked by HL(-) and L(2-) ligands [H(2)L is 5-(pyridine-4-carboxamido)-isophthalic acid], forming a bilayer network. The layers are linked into a three-demensional network through N-H⋯O and O-H⋯O hydrogen bonds.

| S-EPMC3200962 | biostudies-literature

catena-Poly[[[tetra-aqua-cobalt(II)]-μ-4,4'-bipyridine-κN:N'] pyridine-3,5-dicarboxyl-ate trihydrate].

Project description:The crystal structure of the title compound, {[Co(C(10)H(8)N(2))(H(2)O)(4)](C(7)H(3)NO(4))·3H(2)O}(n), consists of Co(II) polymeric complex cations, uncoordinated pyridine-3,5-dicarboxyl-ate anions and lattice water mol-ecules. The Co(II) cation is coordinated by two N atoms from two 4,4'-bipyridine ligands and four water mol-ecules in a distorted octa-hedral geometry. The 4,4'-bipyridine ligands bridge Co cations, forming a polymeric chain running along the b axis. The two pyridine rings of the 4,4'-biyridine are twisted to each other by a dihedral angle of 8.95 (9)°. Extensive O-H⋯O hydrogen bonding network is present in the crystal structure.

| S-EPMC3151975 | biostudies-literature

Poly[[tetra-deca-kis-(μ-propionato)hepta-barium] propionic acid monosolvate tetra-hydrate].

Project description:The title compound, {[Ba7(C3H5O2)14]·0.946C3H6O2·4H2O} n , is represented by a metal-organic framework structure that is held together by Ba-O-Ba bonds, as well as by O-H⋯O hydrogen bonds of moderate strength. The structure comprises of four independent Ba2+ cations (one of which is situated on a twofold rotation axis), seven independent propionate and two independent water mol-ecules. The bond-valence sums of all the cations indicate a slight overbonding. There is also an occupationally, as well as a positionally disordered propionic acid mol-ecule present in the structure. Its occupation is slightly lower than the full occupation while the disordered mol-ecules occupy two positions related by a rotation about a twofold rotation axis. In addition, the methyl group in the symmetry-independent propionic acid mol-ecule is also disordered, and occupies two positions. Each propionic acid mol-ecule coordinates to just one cation from a pair of symmetry-equivalent Ba2+ sites and is simultaneously bonded by an O-H⋯Opropionate hydrogen bond. This means that on a microscopic scale, the coordination number of the corresponding Ba2+ site is either 9 or 10. The methyl as well as hy-droxy hydrogen atoms of the disordered propionic acid mol-ecule were not determined.

| S-EPMC7001838 | biostudies-literature

Poly[[dodeca-aqua-bis-(?(3)-pyridine-2,6-dicarboxyl-ato)tetra-kis-(?(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

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