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Crystal structure of poly[di-aqua-bis-(?5-benzene-1,3-di-carboxyl-ato)(N,N-di-methyl-formamide)-cadmium(II)disodium(I)].

ABSTRACT: The title compound, [CdNa2(C8H4O4)2(C3H7NO)(H2O)2] n or [CdNa2(1,3-bdc)2(DMF)(H2O)2] n , is a new CdII-NaI heterobimetallic coordination polymer. The asymmetric unit consists of one CdII atom, two NaI atoms, two 1,3-bdc ligands, two coordinated water mol-ecules and one coordinated DMF mol-ecule. The CdII atom exhibits a seven-coordinate geometry, while the NaI atoms can be considered to be penta-coordinate. The metal ions and their symmetry-related equivalents are connected via chelating-bridging carboxyl-ate groups of the 1,3-bdc ligands to generate a three-dimensional framework. In the crystal, there are classical O-H?O hydrogen bonds involving the coordinated water mol-ecules and the 1,3-bdc carboxyl-ate groups and ?-? stacking between the benzene rings of the 1,3-bdc ligands present within the frameworks.

SUBMITTER: Sangsawang M

PROVIDER: S-EPMC5683472 | biostudies-literature | 2017 Nov

REPOSITORIES: biostudies-literature

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Crystal structure of poly[di-aqua-bis-(μ5-benzene-1,3-di-carboxyl-ato)(N,N-di-methyl-formamide)-cadmium(II)disodium(I)].

Sangsawang Matimon M Chainok Kittipong K Wannarit Nanthawat N

Acta crystallographica. Section E, Crystallographic communications 20171003 Pt 11

The title compound, [CdNa2(C8H4O4)2(C3H7NO)(H2O)2] n or [CdNa2(1,3-bdc)2(DMF)(H2O)2] n , is a new CdII-NaI heterobimetallic coordination polymer. The asymmetric unit consists of one CdII atom, two NaI atoms, two 1,3-bdc ligands, two coordinated water mol-ecules and one coordin ...[more]

PMID: 29152332

Similar Datasets

Poly[[(?2-benzene-1,3-di-carboxyl-ato){?2-1,4-bis-[(1H-imidazol-1-yl)meth-yl]benzene}-cadmium] di-methyl-formamide monosolvate].

Project description:The title coordination polymer, {[Cd(C8H4O4)(C14H14N4)]·C3H7NO} n , was synthesized by solvothermal reaction of metallic cadmium with the semi-rigid neutral ligand 1,4-bis-[(1H-imidazol-1-yl)meth-yl]benzene (bix) and the V-shaped benzene-1,3-di-carb-oxy-lic acid (m-H2bdc). The structure exhibits a pseudo-C-centring which is almost fulfilled by the polymeric metal complex but not by the solvent dimethylform-amide (DMF) mol-ecules. The asymmetric unit contains two independent Cd(II) ions, two m-bdc(2-) ligands, one and two half bix ligands, and two solvent DMF mol-ecules. The Cd(II) ions are both five-coordinated by three O atoms from two different m-bdc(2-) ligands and two N atoms from two different bix ligands in a distorted square-pyramidal geometry. The m-bdc(2-) ligands adopt a chelate-monodentate coordination mode, connecting neighboring Cd(II) ions into a zigzag chain parallel to [110]. Adjacent chains are further cross-linked by bix ligands, giving rise to a puckered sheet nearly perpendicular to the chain direction. Thus, each Cd(II) ion is connected to four neighboring Cd(II) ions through two m-bdc(2-) anions and two bix ligands, giving rise to the final non-inter-penetrating uninodal layer with sql (4,4) topology.

| S-EPMC3884267 | biostudies-literature

Poly[[nona-aqua-bis-(?-5-hy-droxy-benzene-1,3-di-carboxyl-ato)(5-hy-droxy-benzene-1,3-di-carboxyl-ato)dicerium(III)] hexa-hydrate].

Project description:In the title coordination polymer, {[Ce2(C8H4O5)3(H2O)9]·6H2O} n , the asymmetric unit is formed by two Ce(III) atoms, three 5-hy-droxy-benzene-1,3-di-carboxyl-ate ligands, nine coordinating water mol-ecules and six water mol-ecules of crystallization. The two Ce(III) atoms are bridged by 5-hy-droxy-benzene-1,3-di-carboxyl-ate ligands acting in a bis-bidentate coordination mode, generating infinite chains along [101]. Both independent metal atoms are nine-coordinated, one by four O atoms from the carboxyl-ate groups of two bridging 5-hy-droxy-benzene-1,3-di-carboxyl-ate ligands and five O atoms from water mol-ecules, generating a tricapped trigonal-prismatic geometry. The coordination around the second Ce(III) atom is similar, except that one of the water mol-ecules is replaced by an O atom from an additional 5-hy-droxy-benzene-1,3-di-carboxyl-ate ligand acting in a monodentate coordination mode and forming a capped square-anti-prismatic geometry.

| S-EPMC4011209 | 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.

| S-EPMC2967922 | 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.

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Poly[[di-aqua-(μ4-benzene-1,2,4,5-tetra-carboxyl-ato)tetrakis-(1H-imidazole-κN (3))dicopper(II)] N,N-di-methyl-formamide monosolvate].

Project description:The asymmetric unit of the polymeric title compound, {[Cu2(C10H2O8)(C3H4N2)4(H2O)2]·C3H7NO} n , contains two independent Cu(II) ions, each coordinated by one water mol-ecule, two imidazole N atoms and two carboxyl-ate O atoms from benzene-1,2,4,5-tetra-carboxyl-ate anions in a distorted square-pyramidal geometry. The benzene-1,2,4,5-tetra-carboxyl-ate anion bridges four Cu(II) ions, forming a polymeric sheet parallel to (010). In the crystal, extensive N-H⋯O and O-H⋯O hydrogen bonds link the polymeric sheets and di-methyl-formamide solvent mol-ecules into a three-dimensional supra-molecular structure.

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Poly[di-ammonium [di-aqua-(μ7-benzene-1,2,3,4,5,6-hexa-carboxyl-ato)tetra-oxido-diuranium(VI)]].

Project description:Uranyl-carboxyl-ate hybrid materials dominate the catalog of uranyl compounds owing in part to the affinity between COO(-) functional groups and UO2 (2+). Polycarboxyl-ate organic ligands may present a degree of steric hindrance and could thus influence the resulting uranyl topology. Single crystals of the title compound, {(NH4)2[(UO2)2(C12O12)(H2O)2]} n , were synthesized hydro-thermally as a result of reacting uranyl nitrate with benzene-1,2,3,4,5,6-hexa-carb-oxy-lic acid (mellitic acid). The structure is comprised of a single unique monomeric uranyl cation adopting a penta-gonal bipyramidal geometry. The uranyl coordination sphere is composed of four O atoms originating from one half of a fully deprotonated mellitic acid ligand and a single water mol-ecule. The observed axial U-O bonds display an average distance of 1.765 (8) Å, whereas equatorial O atoms are found at an average distance of 2.40 (5) Å. All uranium-oxygen bond lengths are in good agreement with literature values. Furthermore, the coordin-ation between the uranyl penta-gonal bipyramids and the mellitic acid anion constructs a three-dimensional anionic framework which is charge-balanced with ammonium cations. Additional stabilization of the structure is provided by O-H⋯O and N-H⋯O hydrogen bonding inter-actions between the components.

| S-EPMC3998547 | biostudies-literature

Poly[(?3-5-tert-butyl-benzene-1,3-di-carboxyl-ato)di-pyridine-cobalt(II)].

Project description:In the title compound, [Co(C12H12O4)(C5H5N)2] n , the Co(II) cation is coordinated by four O atoms from three 5-tert-butyl-benzene-1,3-di-carboxyl-ate anions and two N atoms from pyridine mol-ecules in a distorted octa-hedral geometry. One carboxyl-ate group of the anionic ligand chelates a Co(II) cation while another carboxyl-ate group bridges two Co(II) cations, resulting in a polymeric layer parallel to (101). Weak C-H?O hydrogen bonds occur between adjacent polymeric layers. In the crystal, one of pyridine mol-ecules is equally disordered over two positions.

| S-EPMC3919544 | biostudies-literature

catena-Poly[[tri-aqua-copper(II)]-?-5-carb-oxy-benzene-1,3-di-carboxyl-ato-?(2) O (1):O (3)].

Project description:In the title complex, [Cu(C9H4O6)(H2O)3] n , the Cu(II) cation exhibits a distorted square-pyramidal coordination geometry involving five O atoms from two monodentate 5-carb-oxy-benzene-1,3-di-carboxyl-ate anions and three water mol-ecules. The 5-carb-oxy-benzene-1,3-di-carboxyl-ate anions bridge Cu(II) cations into zigzag polymeric chains running along the b-axis direction. These chains are further linked by O-H?O hydrogen bonds between coordinating water mol-ecules or carboxyl groups and carboxylate groups into a three-dimensional supra-molecular architecture. In the crystal, ?-? stacking is observed between parallel benzene rings of adjacent chains, the centroid-centroid distances being 3.584?(3) and 3.684?(3)?Å.

| S-EPMC3790349 | biostudies-literature

Poly[bis-(ethanol)(?4-2,3,5,6-tetra-fluoro-benzene-1,4-di-carboxyl-ato)cadmium].

Project description:In the title compound, [Cd(C8F4O4)(C2H5OH)2] n , the Cd(II) cation sits on an inversion centre and is coordinated by six O atoms from four tetra-fluoro-benzene-1,4-di-carboxyl-ate anions and two ethanol mol-ecules in a distorted octa-hedral geometry. The anionic ligand is also located on an inversion centre, and connects four Cd(II) cations, generating a two-dimensional polymeric layer parallel to the ab plane. Within the layer, the ethanol mol-ecule links F and O atoms of the nearest anionic ligands via O-H?O and O-H?F hydrogen bonds. The ethyl group of the ethanol mol-ecule is disordered over two positions with an occupancy ratio of 0.567?(10):0.433?(10).

| S-EPMC3884245 | biostudies-literature

Poly[[hexa-aqua-sesqui(?-benzene-1,2,4,5-tetra-carboxyl-ato)dicopper(II)disodium] monohydrate].

Project description:In the title compound, {[Cu2Na2(C10H2O8)1.5(H2O)6]·H2O} n , the Cu(2+) ion is hexa-coordinated by five O atoms from benzene-1,2,4,5-tetra-carboxyl-ate (btec(4-)) ligands and one water mol-ecule. The Na(+) ion is also hexa-coordinated, by four O atoms from btec(4-) ligands and two water mol-ecules. One of the two btec(4-) mol-ecules sits on a crystallographic inversion centre. CuO6 and NaO6 octa-hedra are connected, forming bi-dimensional layers. These layers, which extend parallel to the ac plane, are further inter-connected by ?10- or ?11-bridging btec(4-) ligands and by O-H?O hydrogen bonds, involving both btec(4-) ligands and water mol-ecules, forming a three-dimensional network.

| S-EPMC4158492 | biostudies-other