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Poly[[hexa-aqua-bis-(?3-pyrimidine-4,6-dicarboxyl-ato)dicalcium] dihydrate].

ABSTRACT: The polymeric structure of the title compound, {[Ca2(C6H2N2O4)2(H2O)6]·2H2O} n , is built up of mol-ecular layers composed of Ca(II) ions bridged by both ligand N and O atoms with one of the O atoms being bis-monodentate. Two adjacent Ca(II) ions are bridged by these O atoms, forming a centrosymmetric dimer which is the building unit of the structure. The dimers are nodes of a cross-linked mol-ecular layer parallel to (101). The Ca(II) ion is coordinated by two bidentate ligands, one monodentate ligand and three water mol-ecules in the form of a distorted polyhedron with a coordination number of eight. Solvate water mol-ecules located between adjacent layers participate as donors and acceptors in a system of hydrogen bonds in which coordinating water mol-ecules also act as donors and non-coordinating carboxyl-ate O atoms act as acceptors.

SUBMITTER: Starosta W

PROVIDER: S-EPMC3588738 | biostudies-literature | 2012 Dec

REPOSITORIES: biostudies-literature

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Poly[[hexa-aqua-bis-(μ3-pyrimidine-4,6-dicarboxyl-ato)dicalcium] dihydrate].

Starosta Wojciech W Leciejewicz Janusz J

Acta crystallographica. Section E, Structure reports online 20121114 Pt 12

The polymeric structure of the title compound, {[Ca2(C6H2N2O4)2(H2O)6]·2H2O} n , is built up of mol-ecular layers composed of Ca(II) ions bridged by both ligand N and O atoms with one of the O atoms being bis-monodentate. Two adjacent Ca(II) ions are bridged by these O atoms, forming a centrosymmetric dimer which is the building unit of the structure. The dimers are nodes of a cross-linked mol-ecular layer parallel to (101). The Ca(II) ion is coordinated by two bidentate ligands, one monodentate ...[more]

PMID: 23468703

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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.

| S-EPMC3470151 | biostudies-literature

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Project description:The polymeric title compound, {(C(4)H(12)N(2))[Zn(C(7)H(3)NO(4))(2)(H(2)O)]·2H(2)O}(n), was obtained by the reaction of zinc(II) nitrate hexa-hydrate with the proton-transfer compound (pipzH(2))(py-2,5-dc) (where pipz is piperazine and py-2,5-dcH(2) is pyridine-2,5-dicarboxylic acid) in aqueous solution. Each Zn(II) atom is coordinated in a distorted octa-hedral geometry by four O atoms and two N atoms from one water mol-ecule and two (py-2,5-dc)(2-) ligands, which also act as bridging ligands between Zn(II) atoms. π-π Stacking inter-actions between two aromatic rings of (py-2,5-dc)(2-) fragments, with centroid-centroid distances of 3.4747 (7) and 3.7081 (7) Å are observed. The crystal structure is stabilized by O-H⋯O and N-H⋯O hydrogen bonds.

| S-EPMC2915064 | biostudies-literature

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Project description:The crystal structure of the title compound, [Ho(2)(C(12)H(6)O(4))(3)(H(2)O)(6)](n), contains binuclear centrosymmetric {Ho(2)O(2)(CO(2))(4)(H(2)O)(6)} cores inter-connected via the naphthalene-2,6-dicarboxyl-ate (NDC(2-)) bridging ligands into a two-dimensional neutral plane net, ∞(2)[Ho(2)(NDC)(3)(H(2)O)(6)], exhibiting a typical (4,4)-topology. Inter-actions between adjacent layers are assured by a series of C-H⋯π contacts and a number of strong and highly directional O-H⋯O hydrogen bonds involving the coordinated water mol-ecules and neighbouring coordinated carboxyl-ate groups. One NDC(2-) bridging ligand has its centroid located at a crystallographic centre of inversion.

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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.

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Poly[[dodeca-aqua-hexa-kis-(?(2)-pyridine-2,5-dicarboxyl-ato)tricopper(II)diytterbium(III)] dihydrate].

Project description:The asymmetric unit of the title heterometallic coordination polymer, {[Cu(3)Yb(2)(C(7)H(3)NO(4))(6)(H(2)O)(12)]·2H(2)O}(n), contains one Yb(III) and two Cu(II) atoms. The Cu(II) atom that is located on an inversion center is N,O-chelated by two pyridine-2,5-dicarboxyl-ate (pdc) anions in a square-planar geometry; the Cu atom located on a general position is N,O-chelated by two pdc anions in the basal plane and is further coordinated by a water O atom at the apical position in a distorted square-pyramidal geometry. The Yb(III) atom is eight coordinated in a distorted square-anti-prismatic geometry formed by three carboxyl-ate O atoms from three pdc anions and five water mol-ecules. The pdc anions bridge adjacent Yb(III) and Cu(III) atoms, forming a three-dimensional polymeric structure. The crystal structure contains extensive O-H?O hydrogen bonds. ?-? stacking is present in the crystal structure, the shortest centroid-centroid distance between parallel pyridine rings of adjacent mol-ecules being 3.646?(3)?Å.

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Project description:The title compound, {[K(2)(C(12)H(6)N(2)O(4))(H(2)O)(2)]·2H(2)O}(n), forms a three-dimensional coordination polymer in the solid state. The asymmetric unit consists of one K(+) ion, half of a 2,2'-bipyridyl-5,5'-dicarboxyl-ate ligand, one coordinated water mol-ecule and one solvent water mol-ecule. The K(+) ion is 7-coordinated by the oxygen atoms of two water mol-ecules and by five oxygen atoms of four carboxyl-ate groups, one of which is chelating. The extended structure can be described as a binodal network in which each K(+) is a six-connected node, bonding to four carboxyl-ate groups and two bridging water mol-ecules, and the 2,2'-bipyridyl-5,5'-dicarboxyl-ate linkers are eight-connected nodes, with each carboxyl-ate group bridging four metal centers. Overall, this arrangement generates a complex network with point symbol {3(4).4(12).5(12)}{3(4).4(4).5(4).6(3)}(2). Both of the bridging water mol-ecules participate as donors in hydrogen-bonding inter-actions; one to solvent water mol-ecules and a second to an oxygen atom of a carboxyl-ate group.

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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.

| S-EPMC3238609 | biostudies-literature

Poly[[tetra-aqua-bis-(?(3)-1H-imidazole-4,5-dicarboxyl-ato)tetra-kis-(?(2)-1H-imidazole-4,5-dicarboxyl-ato)tricobalt(II)diytterbium(III)] dihydrate].

Project description:The asymmetric unit of the title compound, {[Co(3)Yb(2)(C(5)H(2)N(2)O(4))(6)(H(2)O)(4)]·2H(2)O}(n), contains one Yb(III) ion, two Co(II) ions (one situated on an inversion centre), three imidazole-4,5-dicarboxyl-ate ligands, two coordinated water mol-ecules and one uncoordinated water mol-ecule. The Yb(III) ion is 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. Both Co(II) ions are six-coordinated in a slightly distorted octa-hedral geometry. The Co(II) ion that is located on an inversion center is coordinated by two O atoms from two water mol-ecules, as well as two O atoms and two N atoms from two imidazole-4,5-dicarboxyl-ate ligands. The second 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 involving the water mol-ecules and the imidazole-4,5-dicarboxyl-ate ligands.

| S-EPMC3212186 | biostudies-literature

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