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Poly[[aqua-calcium(II)]-?(4)-1H-imidazole-4,5-dicarboxyl-ato].

ABSTRACT: In the title compound, [Ca(C(5)H(2)N(2)O(4))(H(2)O)](n), the Ca(2+) cations are eigthtfold coordinated by six O atoms and one N atom of four symmetry-related anions and one water mol-ecule within an irregular polyhedron. These CaO(7)N polyhedra are connected via the anions into a three-dimensional network. The anions are additionally linked by N-H?O and O-H?O hydrogen bonding.

SUBMITTER: Chang YT

PROVIDER: S-EPMC3009373 | biostudies-literature | 2010 Oct

REPOSITORIES: biostudies-literature

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Poly[[aqua-calcium(II)]-μ(4)-1H-imidazole-4,5-dicarboxyl-ato].

Chang Ya-Ting YT Yeh Chun-Ting CT Kao Ching-Che CC Lin Chia-Her CH

Acta crystallographica. Section E, Structure reports online 20101009 Pt 11

In the title compound, [Ca(C(5)H(2)N(2)O(4))(H(2)O)](n), the Ca(2+) cations are eigthtfold coordinated by six O atoms and one N atom of four symmetry-related anions and one water mol-ecule within an irregular polyhedron. These CaO(7)N polyhedra are connected via the anions into a three-dimensional network. The anions are additionally linked by N-H⋯O and O-H⋯O hydrogen bonding. ...[more]

PMID: 21588820

Similar Datasets

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

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-(?(4)-imidazole-4,5-dicarboxyl-ato)(?(3)-imidazole-4,5-dicarboxyl-ato)-?(3)-sulfato-?(2)-sulfato-cobalt(II)digadolinium(III)] monohydrate].

Project description:The asymmetric unit of the title compound, {[CoGd(2)(C(5)H(2)N(2)O(4))(2)(SO(4))(2)(H(2)O)(4)]·H(2)O}(n), contains one Co(II) ion, two Gd(III) ions, two imidazole-4,5-dicarboxyl-ate ligands, two SO(4) (2-) anions, four coordinated water mol-ecules and one uncoordinated water mol-ecule. The Co(II) ion is six-coordinated by two O atoms from two coordinated water mol-ecules, as well as two O atoms and two N atoms from two imidazole-4,5-dicarboxyl-ate ligands, giving a slightly distorted octa-hedral geometry. Both Gd(III) ions are eight-coordinated in a distorted bicapped trigonal-prismatic geometry. One Gd(III) ion is coordinated by four O atoms from two imidazole-4,5-dicarboxyl-ate ligands, three O atoms from three SO(4) (2-) anions and a water O atom; the other Gd(III) ion is bonded to five O atoms from three imidazole-4,5-dicarboxyl-ate ligands, two O atoms from two SO(4) (2-) anions as well as a water O atom. These metal coordination units are connected by bridging imidazole-4,5-dicarboxyl-ate and sulfate ligands, generating a heterometallic layer parallel to the ac plane. The layers are stacked along the b axis via N-H?O, O-H?O, and C-H?O hydrogen-bonding inter-actions, generating a three-dimensional framework.

| S-EPMC3238650 | biostudies-literature

Poly[[tetra-aqua-(μ(4)-imidazole-4,5-dicarboxyl-ato)(μ(3)-imidazole-4,5-dicarboxyl-ato)-μ(3)-sulfato-μ(2)-sulfato-cobalt(II)dierbium(III)] monohydrate].

Project description:The asymmetric unit of the title compound, {[CoEr(2)(C(5)H(2)N(2)O(4))(2)(SO(4))(2)(H(2)O)(4)]·H(2)O}(n), contains a Co(II) ion, two Er(III) ions, two imidazole-4,5-dicarboxyl-ate (imdc) ligands, two SO(4) (2-) anions, four coordinated water mol-ecules and one uncoordinated water mol-ecule. The Co(II) ion is six-coordinated by two O atoms from two coordinated water mol-ecules and two O atoms and two N atoms from two imdc ligands in a slightly distorted octa-hedral geometry. Both Er(III) ions are eight-coordinated in a bicapped trigonal-prismatic coordination geometry. One Er(III) ion is coordinated by four O atoms from two imidazole-4,5-dicarboxyl-ate ligands, three O atoms from three SO(4) (2-) anions and one water O atom; the other Er(III) ion is bonded to five O atoms from three imdc ligands, two O atoms from two SO(4) (2-) anions as well as one coordinated water mol-ecule. The coordinated metal units are connected by bridging imdc ligands and sulfate ions, generating a two-dimensional heterometallic layer. The two-dimensional layers are stacked along the b axis via N-H⋯O, O-H⋯O and C-H⋯O hydrogen-bonding inter-actions between water mol-ecules, SO(4) (2-) anions, and imdc ligands, generating a three-dimensional framework.

| S-EPMC3011513 | biostudies-literature

Poly[tetra-deca-aqua-tetra-kis-(?(3)-1H-imidazole-4,5-dicarboxyl-ato)tetra-?(3)-sulfato-cobalt(II)hexa-gadolinium(III)].

Project description:The asymmetric unit of the title compound, [CoGd(6)(C(5)H(2)N(2)O(4))(4)(SO(4))(6)(H(2)O)(14)](n), contains a Co(II) ion (site symmetry [Formula: see text]), three Gd(III) ions, two imidazole-4,5-dicarboxyl-ate ligands, three SO(4) (2-) anions, and seven coordinated water mol-ecules. The Co(II) ion is six-coordinated by two O atoms from water mol-ecules, two O atoms and two N atoms from two imidazole-4,5-dicarboxyl-ate ligands, giving a slightly distorted octa-hedral geometry. The Gd(III) ions exhibit three types of coordination environments. One Gd ion is eight-coordinated in a bicapped trigonal-prismatic geometry by four O atoms from two imidazole-4,5-dicarboxyl-ate ligands, two O atoms from two SO(4) (2-) anions and two coordinated water mol-ecules. The other Gd ions are nine-coordinated in a tricapped trigonal-prismatic geometry; one of these Gd ions is bonded to four O atoms from two imidazole-4,5-dicarboxyl-ate ligands, three O atoms from three SO(4) (2-) anions and two water O atoms and the other Gd ion is coordinated by one O atom and one N atom from one imidazole-4, 5-dicarboxyl-ate ligand, five O atoms from three SO(4) (2-) anions as well as two coordinated water mol-ecules. These metal coordination units are connected by bridging imidazole-4,5-dicarboxyl-ate and sulfate 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 water mol-ecules, SO(4) (2-) anions, and imidazole-4,5-dicarboxyl-ate ligands.

| S-EPMC3212143 | biostudies-literature

catena-Poly[[[aqua-bis(1H-imidazole-?N)copper(II)]-?-naphthalene-1,4-dicarboxyl-ato-?O:O] dihydrate].

Project description:In the title compound, {[Cu(C(12)H(6)O(4))(C(3)H(4)N(2))(2)(H(2)O)]·2H(2)O}(n), the Cu(II) cation is coordinated by two naphthalene-1,4-dicarboxyl-ate (naph) dianions, two imidazole mol-ecules and one water mol-ecule in a distorted square-pyramidal geometry. The Cu-O bond distance in the apical direction is 0.509?(3)?Å longer than the mean Cu-O bond distance in the basal plane. The naph dianion bridges two Cu(II) cations, forming a one-dimensional polymeric chain. The coordinated water mol-ecule is hydrogen-bonded to the carboxylate groups and imidazole ligands of adjacent polymeric chains, forming a three-dimensional supra-molecular structure. No ?-? stacking is observed in the crystal structure. One solvent water molecule is disordered equally over two positions.

| S-EPMC2961746 | biostudies-literature

catena-Poly[[aqua-(imidazole)-cadmium(II)]-?(3)-benzene-1,3-dicarboxyl-ato].

Project description:In the title compound, [Cd(C(8)H(4)O(4))(C(3)H(4)N(2))(H(2)O)](n), the Cd(II) ion is seven-coordinated by five O atoms from three crystallographically independent benzene-1,3-carboxylate ligands, one N atom from the imidazole ligand and one coordinated water mol-ecule. Neighboring Cd(II) ions are bridged by the benzene-1,3-dicarboxyl-ate ligands, forming a zigzag polymeric chain structure. These chains are further extended into a three-dimensional supra-molecular structure through O-H?O and N-H?O hydrogen bonds.

| S-EPMC3006711 | biostudies-literature

Poly[diaqua-bis-(?(3)-1H-imidazole-4,5-dicarboxyl-ato)(?(2)-sulfato)-diytterbium(III)].

Project description:In the title compound, [Yb(2)(C(5)H(2)N(2)O(4))(2)(SO(4))(H(2)O)(2)](n), the Yb(III) ion is eight-coordinated by four O atoms and one N atom from three imidazole-4,5-dicarboxyl-ate ligands, two O atoms from one SO(4) (2-) anion (site symmetry 2), as well as one O atom of a water mol-ecule, giving a bicapped trigonal-prismatic coordination geometry. The metal coordination units are connected by bridging imidazole-4,5-dicarboxyl-ate and sulfate ligands, generating a heterometallic layer. The layers are stacked along the a axis via N-H?O, O-H?O, and C-H?O hydrogen-bonding inter-actions, generating a three-dimensional framework.

| S-EPMC3238610 | biostudies-literature

Poly[?(2)-aqua-aqua-(?(3)-1H-benzimidazole-5,6-dicarboxyl-ato-?N:O:O)manganese(II)].

Project description:In the title complex, [Mn(C(9)H(4)N(2)O(4))(H(2)O)(2)](n), the Mn(II) atom is in a distorted octa-hedral coordination completed by one N atom from one 1H-benzimidazole-5,6-dicarboxyl-ate ligand, two O atoms from two different 1H-benzimidazole-5,6-dicarboxyl-ate ligands, and three O atoms from three water mol-ecules. Two bridging water mol-ecules and two bridging carboxyl-ate groups from a 1H-benzimidazole-5,6-dicarboxyl-ate ligand connect two Mn(II) ions into a dimeric structure. In the crystal, extensive inter-molecular O-H?O, N-H?O and C-H?O hydrogen bonding forms a three-dimensional network.

| S-EPMC2979272 | biostudies-literature

Poly[aqua-(dimethyl sulfoxide)(μ(4)-pyridine-2,5-dicarboxyl-ato)calcium(II)].

Project description:In the polymeric title compound, [Ca(C(7)H(3)NO(4))(H(2)O)(C(2)H(6)OS)](n), the Ca(II) ion is coordinated in a distorted penta-gonal-bipyramidal CdNO(6) geometry. The crystal packing is stabilized by O-H⋯O hydrogen bonds and π-π stacking inter-actions between the aromatic rings of pyridine-2,5-dicarb-oxy-late with centroid-centroid distances of 3.6166 (13) Å.

| S-EPMC3051525 | biostudies-literature

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