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Poly[octa-?-aqua-tetra-aqua-bis(?(4)-5-sulfonatobenzene-1,3-dicarboxyl-ato)nickel(II)tetra-sodium].

ABSTRACT: In the crystal structure of the title compound, [Na(4)Ni(C(8)H(3)O(7)S)(2)(H(2)O)(12)](n), the Ni(II) cation occupies an inversion centre and is coordinated by the carboxyl groups of the sulfoisophthalate trianions and water mol-ecules in a distorted octa-hedral geometry. Two independent Na(I) atoms are connected by the carboxyl and sulfonate groups of the sulfoisophthalate ligands anions and water mol-ecules in a distorted octa-hedral geometry. The sulfoisophthalate ligands and coordinated water mol-ecules bridge the Ni(II) and Na(I) cations, forming a three-dimensional polymeric structure. Weak ?-? stacking is present between parallel benzene rings [centroid-centroid distance = 3.9349?(10)?Å]. Extensive O-H?O and C-H?O hydrogen bonding helps to stabilize the crystal structure.

SUBMITTER: Zhang BY

PROVIDER: S-EPMC2969070 | biostudies-literature | 2009 Mar

REPOSITORIES: biostudies-literature

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Poly[octa-μ-aqua-tetra-aqua-bis(μ(4)-5-sulfonatobenzene-1,3-dicarboxyl-ato)nickel(II)tetra-sodium].

Zhang Bing-Yu BY Nie Jing-Jing JJ Xu Duan-Jun DJ

Acta crystallographica. Section E, Structure reports online 20090325 Pt 4

In the crystal structure of the title compound, [Na(4)Ni(C(8)H(3)O(7)S)(2)(H(2)O)(12)](n), the Ni(II) cation occupies an inversion centre and is coordinated by the carboxyl groups of the sulfoisophthalate trianions and water mol-ecules in a distorted octa-hedral geometry. Two independent Na(I) atoms are connected by the carboxyl and sulfonate groups of the sulfoisophthalate ligands anions and water mol-ecules in a distorted octa-hedral geometry. The sulfoisophthalate ligands and coordinated wate ...[more]

PMID: 21582369

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Poly[octa-μ-aqua-tetra-aqua-bis(μ-5-sul-fon-atobenzene-1,3-dicarboxyl-ato)cobalt(II)tetra-sodium].

Project description:The title compound, [CoNa(4)(C(8)H(3)O(7)S)(2)(H(2)O)(12)](n), is a three-dimensional coordination polymer bridged by sulfoisophthalate trianions and water mol-ecules. The Co(II) atom, located on an inversion centre, is coordinated by two carboxyl-ate groups of the sulfoisophthalate trianions and by four water mol-ecules in a distorted CoO(6) octa-hedral geometry. Two independent Na(I) atoms also have a distorted octa-hedral coordination geometry formed by water, carboxyl-ate O and sulfonate O atoms. An extensive O-H⋯O and C-H⋯O hydrogen-bonding network is present in the crystal structure, as well as weak π-π stacking [centroid-centroid distance = 3.9553 (11) Å].

| S-EPMC2968916 | biostudies-literature

Hexaaqua-nickel(II) tetra-aqua-bis-(?-pyridine-2,6-dicarboxyl-ato)bis-(pyridine-2,6-dicarboxyl-ato)trinickelate(II) octa-hydrate.

Project description:The title compound, [Ni(H(2)O)(6)][Ni(3)(C(7)H(3)NO(4))(4)(H(2)O)(4)]·8H(2)O, was obtained by the reaction of nickel(II) nitrate hexa-hydrate with pyridine-2,6-dicarb-oxy-lic acid (pydcH(2)) and 1,10-phenanothroline (phen) in an aqueous solution. The latter ligand is not involved in formation of the title complex. There are three different Ni(II) atoms in the asymmetric unit, two of which are located on inversion centers, and thus the [Ni(H(2)O)(6)](2+) cation and the trinuclear {[Ni(pydc)(2)](2)-?-Ni(H(2)O)(4)}(2-) anion are centrosymmetric. All Ni(II) atoms exhibit an octa-hedral coordination geometry. Various inter-actions, including numerous O-H?O and C-H?O hydrogen bonds and C-O?? stacking of the pyridine and carboxyl-ate groups [3.570?(1), 3.758?(1) and 3.609?(1)?Å], are observed in the crystal structure.

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Bis(hydrazin-1-ium) bis-(?(2)-pyridazine-3,6-dicarboxyl-ato)bis-(aqua-lithiate) octa-aqua-bis-(?(3)-pyridazine-3,6-dicarboxyl-ato)tetra-lithium.

Project description:The unit cell of the title compound, (N(2)H(5))(2)[Li(2)(C(6)H(2)N(2)O(4))(2)(H(2)O)(2)]·[Li(4)(C(6)H(2)N(2)O(4))(2)(H(2)O)(8)], comprises two centrosymmetric complexes, one double negatively charged and one neutral, and two mono-protonated hydrazine cations. The anionic complex molecule is a dimer, built of a pair of symmetry-related pyridazine-3,6-dicarboxyl-ate ligands and a pair of Li(I) ions, each coordinated by two N,O-chelating sites donated by a ligand mol-ecule and an aqua O atom at the apical position. The penta-coordination around the Li(I) ions is partway between a trigonal-bipyramidal and a square-pyramidal arrangement. The two carb-oxy-lic acid groups of the ligand are deprotonated and one carboxyl-ate O atom of each group is not involved in the coordination, and this applies to both the anionic and the neutral complex. The neutral complex molecule is also composed of a pair of Li(I) ions and a pair of ligand mol-ecules related by a centre of symmetry. They form a dimeric core in which the penta-coordination of the Li(I) ions includes two N,O-bonding groups donated by two ligands and an aqua O atom. The penta-coordination is described as partway between a trigonal-bipyramidal and a square-pyramidal arrangement. The coordinated carboxyl-ate group is bidentate-bridging, forming with an Li(H(2)O)(3) unit a neutral tetra-meric mol-ecule. The coordination of the tetra-coordinated Li(I) ion shows a slightly distorted tetra-hedral geometry. An extended system of O-H?O and N-H?O hydrogen bonds contributes to the stability of the crystal structure.

| S-EPMC3297271 | biostudies-literature

Poly[hexa-aqua-bis-(?(4)-pyrimidine-4,6-dicarboxyl-ato)tetra-lithium].

Project description:The asymmetric unit of the title compound, [Li(4)(C(6)H(2)N(2)O(4))(2)(H(2)O)(6)](n), comprises two Li(+) ions bridged by a completely deprotonated pyrimidine-3,6-dicarboxyl-ate ligand and coordinated by two water mol-ecules; the asymmetric units related by an inversion operation create a structural unit which forms part of a two-dimensional polymeric structure parallel to (10-1). One of the Li(+) ions shows a distorted tetra-hedral arrangement involving two symmetry-related coordinating water mol-ecules and two carboxyl-ate O atoms. The other Li(+) ion is in distorted trigonal-bipyramidal geometry defined by N and O atoms of the ligands and a water mol-ecule. Water O atoms are proton donors to carboxyl-ate O atoms forming hydrogen bonds.

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Project description:In the title compound, {[Ni(2)(C(7)H(3)NO(5))(2)(C(12)H(12)N(2))(H(2)O)(2)]·4H(2)O}(n), two Ni(II) ions, two tridentate pyridine-2,6-dicarboxyl-ate N-oxide ligands and two coordinated water mol-ecules form centrosymmetric dinuclear units, which are further bridged by centrosymmetric 1,2-di-4-pyridylethane ligands into polymeric chains along [210]. Each Ni(II) ion has a distorted square-pyramidal environment, with the basal plane formed by three O [Ni-O = 1.9290?(16)-1.9588?(10)?Å] and one N [Ni-N = 1.9828?(18)?Å] atoms and the apical position occupied by the water mol-ecule [Ni-O = 2.2643?(11)?Å]. The water mol-ecules are involved in the formation of O-H?O hydrogen bonds.

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Poly[[octa-aqua-tetra-kis-(?(3)-pyridine-2,5-dicarboxyl-ato)copper(II)diytterbium(III)] monohydrate].

Project description:The asymmetric unit of the title heterometallic polymeric coordination compound, {[CuYb(2)(C(7)H(3)NO(4))(4)(H(2)O)(8)]·H(2)O}(n), contains one Cu(II) cation located on an inversion center, a Yb(III) cation, two pyridine-2,5-dicarboxyl-ate (pda) anions, four coordination water mol-ecules a disordered lattice water molecule, which is half-occupied and is located close to an inversion center. The Cu(II) cation is N,O-chelated by two pda anions in the coordination basal plane and further coordinated by two carboxyl O atoms at the apical positions, with an elongated octa-hedral geometry. The Yb(III) atom is eight-coordinated in a distorted square-anti-prismatic geometry formed by two carboxyl-ate O atoms from two pda anions, and is N,O-chelated by one pda anion and four coordinated water mol-ecules. The pda anions bridge adjacent Yb and Cu cations, forming a three-dimensional polymeric structure. The crystal structure features extensive O-H?O hydrogen bonds. ?-? stacking is observed between parallel pyridine rings, the centroid-centroid distance being 3.843?(4)?Å.

| S-EPMC3089069 | biostudies-literature

Poly[[tetra-aqua-bis-(?(3)-imidazole-4,5-dicarboxyl-ato)tetra-kis-(?(2)-imidazole-4,5-dicarboxyl-ato)tricobalt(II)dilutetium(III)] dihydrate].

Project description:In the title compound, {[Co(3)Lu(2)(C(5)H(2)N(2)O(4))(6)(H(2)O)(4)]·2H(2)O}(n), the Lu(III) ions are seven-coordinated in a monocapped trigonal prismatic coordination geometry by six O atoms from three imidazole-4,5-dicarboxyl-ate ligands and one water O atom. The Co(II) ions are six-coordinated in a slightly distorted octa-hedral geometry and exhibit two types of coordination environments. One Co(II) ion, located on an inversion center, is coordinated by two water O atoms as well as two O atoms and two N atoms from two imidazole-4,5-dicarboxyl-ate ligands. The other Co(II) ion is bonded to four O atoms and two N atoms from four imidazole-4,5-dicarboxyl-ate ligands. These metal coordination units are connected by bridging imidazole-4,5-dicarboxyl-ate ligands, generating a three-dimensional network. The crystal structure is further stabilized by N-H?O, O-H?O, and C-H?O hydrogen-bonding inter-actions between the water mol-ecules and the imidazole-4,5-dicarboxyl-ate ligands.

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catena-Poly[[octa-aqua-bis-(?(4)-benzene-1,3,5-tricarboxyl-ato)trizinc] tetra-hydrate].

Project description:In the title compound, {[Zn(3)(C(9)H(3)O(6))(2)(H(2)O)(8)]·4H(2)O}(n), there are two crystallographically independent Zn(II) ions. One presents a trigonal-bipyramidal coordination geometry defined by five O atoms [three from two carboxyl-ate groups of two benzene-1,3,5-tricarboxyl-ate (BTC) ligands and the other two deriving from three water mol-ecules], while the other lies on an inversion centre and exists in a slightly distorted octa-hedral coordination geometry defined by six O atoms (two from two carboxyl-ate groups of two BTC ligands and the others from four water mol-ecules). A three-dimensional framework is further strengthened via O-H?O hydrogen-bonding inter-actons.

| S-EPMC3089220 | 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

catena-Poly[[?(2)-aqua-diaqua-bis-(?(4)-pyridazine-3,6-dicarboxyl-ato)tetra-lithium] monohydrate].

Project description:In the polymeric structure of the title compound {[Li(2)(C(6)H(2)N(2)O(4))(2)Li(H(2)O)(2)Li(H(2)O)]·H(2)O}(n), the coordination of two independent Li(I) ions is distorted trigonal-bipyramidal and that of the other two independent Li(I) ions is distorted tetra-hedral. The former two Li(I) ions are bridged by hetero-ring N atoms of two independent pyridazine-3,6-dicarboxyl-ate ligands, making a dimeric moiety. The carboxyl-ato-O atoms of both bidentate ligands bridge the dimers to adjacent independent aqua-coordinated Li(I) ions, forming mol-ecular ribbons. The latter are bridged by ligand carboxyl-ato and aqua O atoms, forming mol-ecular layers parallel to (100) which are held together by an extended system of O-H?O hydrogen bonds.

| S-EPMC3201440 | biostudies-literature

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