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Catena-Poly[[tetra-aqua-[?(2)-1,4-bis-(1,2,4-triazol-1-yl)butane-?N:N]cadmium(II)] sulfate].

ABSTRACT: In the polymeric title compound, {[Cd(C(8)H(12)N(6))(H(2)O)(4)]SO(4)}(n), the Cd(II) atom is located on an inversion center and coordinated by four water mol-ecules and two 1,4-bis-(1,2,4-triazol-yl)butane ligands in a distorted CdO(4)N(2) octa-hedral geometry. The 1,4-bis-(1,2,4-triazol-yl)butane ligand is centrosymmetric, the mid-point of the central C-C bond being located on an inversion center. It links adjacent water-coordinated metal atoms into polymeric chains running along the c axis. Adjacent chains are linked by O-H?N hydrogen bonds. The S atom of the sulfate anion is located on a twofold rotation axis, thus the sulfate anion is equally disordered over two sites. The sulfate anion links with the polymeric chains via O-H?O hydrogen bonds, generating a three-dimensional supra-molecular network.

SUBMITTER: Song JJ

PROVIDER: S-EPMC3011647 | biostudies-literature | 2010 Nov

REPOSITORIES: biostudies-literature

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catena-Poly[[tetra-aqua-[μ(2)-1,4-bis-(1,2,4-triazol-1-yl)butane-κN:N]cadmium(II)] sulfate].

Song Jing-Jing JJ Zhang Kou-Lin KL Ng Seik Weng SW

Acta crystallographica. Section E, Structure reports online 20101110 Pt 12

In the polymeric title compound, {[Cd(C(8)H(12)N(6))(H(2)O)(4)]SO(4)}(n), the Cd(II) atom is located on an inversion center and coordinated by four water mol-ecules and two 1,4-bis-(1,2,4-triazol-yl)butane ligands in a distorted CdO(4)N(2) octa-hedral geometry. The 1,4-bis-(1,2,4-triazol-yl)butane ligand is centrosymmetric, the mid-point of the central C-C bond being located on an inversion center. It links adjacent water-coordinated metal atoms into polymeric chains running along the c axis. Ad ...[more]

PMID: 21589229

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catena-Poly[[[tetra-aqua-zinc(II)]-?-1,4-bis-(1,2,4-triazol-1-yl)butane-?N:N] biphenyl-4,4'-dicarboxyl-ate].

Project description:The asymmetric unit of the polymeric title compound, {[Zn(C(8)H(12)N(6))(H(2)O)(4)](C(14)H(8)O(4))}(n) or {[Zn(BTB)(H(2)O)(4)](BPDC)}(n) [BTB is 1,4-bis-(1,2,4-triazol-1-yl)butane and H(2)BPDC is biphenyl-4,4'-dicarb-oxy-lic acid], contains half a [Zn(BTB)(H(2)O)(4)](2+) cation and half a BPDC anion, both ions lying about a crystallographic inversion centre. The crystal structure consists of zigzag polymeric cationic chains parallel to the c axis and uncoordinated anions linked into a three-dimensional supra-molecular architecture by O-H?O, C-H?O hydrogen bonds and C-H?? inter-actions.

| S-EPMC3009203 | biostudies-literature

catena-Poly[[[tetra-aqua-cadmium(II)]-μ-4,4'-bipyridine] fumarate tetra-hydrate].

Project description:In the crystal structure of the title compound, [Cd(C(10)H(8)N(2))(H(2)O)(4)](C(4)H(2)O(4))·4H(2)O, the Cd(II) atom, on an inversion centre, is six-coordinated by four O atoms from four water mol-ecules and two N atoms from 4,4'-bpy mol-ecules in a distorted octa-hedral coordination geometry. Weak C-H⋯O inter-actions between uncoordinated carboxyl-ate O atoms of fumaric acid and water mol-ecules contribute to the crystal packing stability.

| S-EPMC2915124 | biostudies-literature

catena-Poly[[aqua-(1,10-phenanthroline)cadmium(II)]-μ-benzene-1,4-di-carboxyl-ato].

Project description:The title compound, [Cd(C(8)H(4)O(4))(C(12)H(8)N(2))(H(2)O)](n), is a new coordination polymer of benzene-1,4-dicarboxyl-ate with cadmium(II) and 1,10-phenanthroline. The Cd(II) ion is coordinated by two N atoms from the 1,10-phenanthroline mol-ecule, three O atoms from two crystallographically independent benzene-1,4-dicarboxyl-ate ligands and the O atom of a coordinated water mol-ecule, forming a heavily distorted octa-hedron. The 1,10-phenanthroline ligand is approximately planar within 0.073 (4) Å. The two different benzene-1,4-dicarboxyl-ate ligands each coordinate to two Cd(II) ions in bidentate and monodentate modes, forming an infinite zigzag chain. Adjacent chains are packed tightly by strong π-π inter-actions [centroid-centroid distances = 3.851 (2) and 3.859 (2) Å] between the aromatic rings of the benzene-1,4-dicarboxyl-ate ligand and the 1,10-phenanthroline of a neighboring chain, forming a sheet parallel to (011). Different sheets are linked together via O-H⋯O hydrogen bonds between the coordinated water mol-ecules and the O atoms of the carboxyl-ate groups, forming a three-dimensional network.

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Poly[tetra-aqua-bis-(?(3)-benzene-1,3-di-carboxyl-ato-?O:O':O'')bis-(?(2)-benzene-1,3-dicarboxyl-ato-?O,O':O'')[?(2)-1,4-bis-(1,2,4-triazol-1-yl)butane-?N:N']tetra-zinc(II)].

Project description:In the crystal structure of the title compound, [Zn(4)(C(8)H(4)O(4))(4)(C(8)H(12)N(6))(H(2)O)(4)](n), one Zn(II) atom is four-coordinated in a slightly distorted tetra-hedral geometry by two O atoms from benzene-1,3-dicarboxyl-ate (BDC) ligands, one N atom from a 1,4-bis-(1,2,4-triazol-1-yl)butane (BTB) ligand and one water mol-ecule, while a second Zn(II) atom is five-coordinated in a distorted square-pyramidal geometry bridged by four O atoms from BDC ligands and one water mol-ecule. The Zn(II) atoms are connected by the benzene-1,3-dicarboxyl-ate anions and the nitro-gen ligand into layers parallel to the ac plane. The asymmetric unit consits of two crystallographically independent Zn(II) cations, two BDC anions and two water mol-ecules in general positions, as well as one-half of the BTB ligand that is completed by inversion symmetry.

| S-EPMC3050338 | biostudies-literature

catena-Poly[[[aqua-(1,10-phenan-throline)cadmium(II)]-?-benzene-1,4-dicarboxyl-ato] benzene-1,4-dicarboxylic acid hemisolvate].

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| S-EPMC2968137 | biostudies-literature

Poly[tetra-aqua-(?(8)-butane-1,2,3,4-tetra-carboxyl-ato)distrontium].

Project description:In the title compound, [Sr(2)(C(8)H(6)O(8))(H(2)O)(4))](n), the Sr(II) ion is coordinated by six O atoms of four symmetry-related ligands and two water mol-ecules in a distorted bicapped trigonal-prismatic environment. The butane-1,2,3,4-tetra-carboxyl-ate ligands lie on inversion centers and bridge Sr(II) ions, forming a three-dimensional network. Within the three-dimensional structure, there are O-H?O hydrogen bonds involving the water mol-ecules and carboxyl-ate O atoms.

| S-EPMC3238625 | biostudies-literature

catena-Poly[[tetra-aqua-cadmium]-?-5,5'-(1,4-phenyl-ene)di(tetra-zol-2-ido)-?(2) N (2):N (2')].

Project description:In the title compound, [Cd(C8H4N8)(H2O)4] n , 5,5'-(1,4-phenyl-ene)di(tetra-zol-2-ide) (L) ligands bridge Cd(II) atoms into polymeric chains along [201]. The Cd(II) atom is situated on an inversion centre and is coordinated by two N atoms from two L ligands and by four water O atoms in a distorted octa-hedral geometry. In the L ligand, the benzene ring resides on an inversion centre and the tetra-zole rings are twisted from its plane by 22.3?(1)°. An extensive hydrogen-bonding network formed by classical O-H?N and O-H?O inter-actions consolidates the crystal packing, linking the poymeric chains into a three-dimensional structure.

| S-EPMC3647818 | biostudies-other

catena-Poly[[[tetra-aqua-zinc(II)]-?-4,4'-bipyridine-?N:N'] benzene-1,4-di-carboxyl-ate].

Project description:In the title compound, {[Zn(C(10)H(8)N(2))(H(2)O)(4)](C(8)H(4)O(4))}(n), the Zn(II) atoms, lying on a twofold rotation axis, are bridged by 4,4'-bipyridine ligands, resulting in a linear chain along the b axis. In the chain, the Zn(II) atom adopts a slightly distorted octa-hedral coordination geometry involving four water mol-ecules at the equatorial positions. The noncoordinated benzene-1,4-dicarboxyl-ate anion, which is also located on a twofold rotation axis, bridges adjacent chains through O-H?O hydrogen bonds, forming a three-dimensional supra-molecular network.

| S-EPMC2969229 | biostudies-literature

catena-Poly[[aqua-[1,4-bis-(1H-imidazol-4-yl)benzene]cadmium]-μ(3)-5-methyl-isophthalato].

Project description:In the title coordination polymer, [Cd(C(9)H(6)O(4))(C(12)H(10)N(4))(H(2)O)](n), the Cd(II) atom has a NO(6) donor set and is coord-inated by five carboxyl-ate O atoms from three different 5-methyl-1,3-phenyl-enediacetate (pda(2-)) anions, one O atom from a water mol-ecule and one N atom from a 1,4-bis-(1H-imidazol-4-yl)benzene (L) ligand, displaying a highly distorted penta-gonal-bipyramidal geometry. Each pda(2-) anion acts as a μ(3)-bridge, linking Cd(II) atoms to form one-dimensional slabs extending parallel to [010]. In the crystal, adjacent mol-ecules are linked through N-H⋯N and N-H⋯O hydrogen bonds into a three-dimensional network.

| S-EPMC3200974 | biostudies-literature

catena-Poly[[[aqua-cadmium(II)]bis-(?-4-hydroxy-pyridine-2,6-dicarboxyl-ato)[aqua-cadmium(II)]di-?-aqua] tetra-hydrate].

Project description:The title polymeric compound, {[Cd(2)(C(7)H(3)NO(5))(2)(H(2)O)(4)]·4H(2)O}(n) or {[Cd(2)(hypydc)(2)(H(2)O)(4)]·4H(2)O}(n) (where hypydcH(2) is 4-hydroxy-pyridine-2,6-dicarboxylic acid), was synthesized by the reaction of cadmium(II) nitrate hexa-hydrate with 4-hydroxy-pyridine-2,6-dicarboxylic acid and propane-1,3-diamine, in a 1:2:2 molar ratio in aqueous solution. The compound is a seven-coordinate binuclear polymeric complex with distorted penta-gonal bipyramidal geometry around Cd(II) [Cd-O = 2.247?(4)-2.474?(3)?Å]. In the binuclear monomeric units, the central atoms join together by O atoms of two bridging tridentate (hypydc)(2-) ligands, and the polymer propagates via two bridging water mol-ecules that link each Cd(II )centre of one monomer to the adjacent neighbour. Propane-1,3-diamine (pn) does not appear in the product but plays a role as a base. Inter-molecular O-H?O and C-H?O hydrogen bonds, and ?-? stacking inter-actions, with distances of 3.725?(3) and 3.766?(3)?Å, connect the various components.

| S-EPMC2959374 | biostudies-other

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