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Catena-Poly[[[tetra-kis-(4-methyl-pyridine-κN)copper(II)]-μ-sulfato-κO:O'] 4.393-hydrate].

ABSTRACT: The structure of the title compound, {[Cu(SO(4))(C(6)H(7)N)(4)]·4.393H(2)O}(n), consists of Cu(2+) ions surrounded in a square-planar fashion by 4-methyl-pyridine ligands, forming two crystallographically independent Cu{H(3)C(C(5)H(4)N)}(4) units that are both located on crystallographic inversion centers. The Cu(4-methyl-pyridine)(4) units are, in turn, connected with each other via bridging sulfate anions, leading to the formation of infinite [Cu{H(3)C(C(5)H(4)N)}(4)SO(4)](n) zigzag chains along [001]. The completed coordination spheres of the Cu(2+) ions are slightly distorted octa-hedral. The axial Cu-O bonds are elongated [average length = 2.42 (4) Å] compared to the equatorial Cu-N bonds [average length = 2.043 (2) Å]. The inter-stitial space between the chains is filled with uncoordinated water mol-ecules that consolidate the structure through O-H⋯O hydrogen bonding. One of the five crystallographically independent solvent water mol-ecules is partially occupied with an occupancy factor of 0.396 (4). Due to hydrogen bonding between symmetry-equivalent water mol-ecules across inversion centers, several of the water H atoms are disordered in 1:1 ratios over mutually exclusive positions. The crystal under investigation was found to be non-merohedrally twinned in a 0.789 (1):0.211 (1) ratio by a 180° rotation around the reciprocal b axis.

SUBMITTER: Alam N

PROVIDER: S-EPMC3051987 | biostudies-literature |

REPOSITORIES: biostudies-literature

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catena-Poly[[triaqua-(pyridine-κN)nickel(II)]-μ-sulfato-κO:O'].

Project description:The title compound, [Ni(SO(4))(C(5)H(5)N)(H(2)O)(3)](n), was synthesized by the hydro-thermal reaction of NiSO(4)·6H(2)O, pyridine and water. The central Ni(II) atom is coordinated in a distorted octa-hedral environment by a pyridine N atom, three aqua O atoms and two O atoms of bridging sulfate anions, yielding a zigzag chain. A three-dimensional network is generated via complex hydrogen bonds involving the sulfate and aqua ligands and a pyridine C-H group.

| S-EPMC2971987 | biostudies-literature

catena-Poly[[tris-(pyridine-κN)copper(II)]-μ-tetra-fluoro-terephthalato-κO:O].

Project description:In the title compound, [Cu(C(8)F(4)O(4))(C(5)H(5)N)(3)](n), the Cu(II) atom, lying on a twofold rotation axis, is five-coordinated by two O atoms from two tetra-fluoro-terephthalate ligands and three N atoms from three pyridine ligands in a distorted trigonal-bipyramidal geometry. Adjacent Cu(II) atoms are connected via the bridging tetra-fluoro-terephthalate ligands into a one-dimensional chain running along the [101] direction.

| S-EPMC2961727 | biostudies-literature

catena-Poly[[bis-(methanol-κO)bis-(pyridine-κN)nickel(II)]-μ-tetra-fluoro-terephthalato-κO:O'].

Project description:In the title compound, [Ni(C(8)F(4)O(4))(C(5)H(5)N)(2)(CH(4)O)(2)](n), the Ni(II) ion is located on an inversion center and is coordinated by four O atoms [Ni-O = 2.079 (4) Å] from two tetra-fluoro-terephthalate ligands and two methanol mol-ecules, and by two N atoms [Ni-N = 2.127 (4) Å] from two pyridine ligands in a distorted octa-hedral geometry. The Ni(II) ions are connected via the tetra-fluoro-terephthalate anions into a one-dimensional chain running along the crystallographic [011] direction.

| S-EPMC2961662 | biostudies-literature

catena-Poly[[tetra-kis-(μ-penta-fluoro-benzoato-κO:O')dimolybdenum(II)]-μ-4,4'-bipyridine-κN:N'].

Project description:In the title compound, [Mo(2)(C(7)F(5)O(2))(4)(C(10)H(8)N(2))](n), the mol-ecule forms a paddle-wheel-type structure. Each Mo(2) (4+) unit is equatorially coordinated by four pentafluoro-benzoate groups, while the axial positions are occupied by two 4,4'-bipyridine mol-ecules. The Mo-Mo bond length of 2.1227 (4) Å is representative of a dimolybdenum quadruple bond. An infinite linear chain parallel to [110] is formed by the Mo(2) (4+) unit coordinating axially to the two N atoms of the 4,4'-bipyridine ligand [Mo-N = 2.594 (2) Å]. The crystal packing shows mol-ecules linked together into a three-dimensional network via Mo-N coordination inter-actions and weak π-π stacking inter-actions between perfluoro-phenyl rings [centroid-centroid distance = 3.7280 (3) Å and centroid-to-plane distance = 3.6103 (12) Å between two penta-fluoro-phenyl rings].

| S-EPMC3200718 | biostudies-literature

catena-Poly[tetra-sodium [[cis-dioxido-trans-bis-(sulfato-κO)molybdate(VI)]-μ-sulfato-κO:O']].

Project description:Single crystals of the title compound, {Na(4)[Mo(VI)O(2)(SO(4))(3)]}(n), were grown from a melt of MoO(3) and Na(2)SO(4) in Na(2)S(2)O(7). In contrast to the structure of the isoformular K compound, K(4)[Mo(VI)O(2)(SO(4))(3)], with its monomeric anion, this sodium analogue contains a polymeric anion of the type {[Mo(VI)O(2)(SO(4))(2)-μ-(SO(4))](4-)}(n). The Mo(VI) cations, surrounded by two tightly bonded O atoms and four O atoms of one bridging and two terminal sulfato ligands, form zigzag chains parallel to [100]. All four Na(+) cations are situated between the anionic chains and have distorted octa-hedral coordination spheres.

| S-EPMC2959510 | biostudies-literature

Tetra-kis-(μ-benzoato-κO:O')bis{[4-(di-methyl-amino)-pyridine-κN]zinc(II)}.

Project description:In the centrosymmetric binuclear title complex, [Zn(2)(C(7)H(5)O(2))(4)(C(7)H(10)N(2))(2)], the Zn atoms [Zn⋯Zn = 3.0037 (6) Å] are bridged by four benzoate ligands. Each of the Zn atoms assumes an approximately square-pyramidal environment, with four O atoms in a plane and the pyridine N atom at the apical site.

| S-EPMC3051476 | biostudies-literature

cyclo-Tetra-μ-malato-κO,O',O'':O'''-tetra-kis[bis-(1H-benzimidazole-κN)cobalt(II)] eicosa-hydrate.

Project description:The title compound, [Co(4)(C(4)H(4)O(5))(4)(C(7)H(6)N(2))(8)]·20H(2)O, consists of tetra-nuclear Co(II) complexes and disordered uncoordinated water mol-ecules. The tetra-meric complex mol-ecule has symmetry. While two benzimidazole mol-ecules and a tridentate malate dianion coordinate a Co(II) ion, the carboxylate O atom from an adjacent malate dianion bridges the Co(II) ions to complete a distorted octa-hedral coordination geometry. The tridentate malate dianion chelates the Co(II) ion, and the chelate six- and five-membered rings show half-chair and envelope configurations, respectively. A face-to-face separation of 3.494 (9) Å between parallel benzimidazole ligands indicates the existence of π-π stacking between adjacent complexes. The crystal structure also involves N-H⋯O and O-H⋯O hydrogen bonds.

| S-EPMC2960982 | biostudies-literature

Tetra-kis(μ(2)-2-methyl-3,5-dinitro-benzoato-κO:O)bis-[aqua-copper(II)] tetra-hydrate.

Project description:The title compound, [Cu(2)(C(8)H(5)N(2)O(6))(4)(H(2)O)(2)]·4H(2)O, forms a centrosymmetric paddle-wheel-type dimer with an intra-molecular Cu⋯Cu distance of 2.6540 (4) Å. The Cu(II) atom is in a square-pyramidal coordination environment formed by four O atoms of four carboxyl-ate groups and one water mol-ecule, which is located in the apical position. The carboxyl-ate groups are twisted relative to the benzene rings by 11.09 (16) and 45.55 (19)°. The nitro groups are not coplanar with the parent aromatic rings [dihedral angles = 16.2 (3)-51.45 (14)°]. O-H⋯O hydrogen bonds between the coordinated water mol-ecules and one of the nitro groups, as well as π-π stacking inter-actions [centroid-centroid distance = 3.5764 (12) Å] between the benzene rings, assemble the complex mol-ecules into a one-dimensional polymeric structure which is further extended into a three-dimensional polymeric network via O-H⋯O hydrogen bonds involving the water molecules of crystallization.

| S-EPMC3051452 | biostudies-literature

μ-Oxido-bis-[bis-(phenanthroline-κN,N')(sulfato-κO)iron(III)] octa-hydrate.

Project description:The title complex, [Fe(2)O(SO(4))(2)(C(12)H(8)N(2))(4)]·8H(2)O, contains two unique Fe(III) cations, one oxide anion, four 1,10-phenanthroline (phen) ligands, two coordinated sulfate anions and eight lattice water mol-ecules. Each Fe(III) ion has an approximate octa-hedral geometry, coordinated by four N atoms from two phen mol-ecules, two O atoms from oxide and sulfate anions, respectively. The parallel phen mol-ecules form two-dimensional supermolecules through π-π stacking inter-actions [centroid-centroid distances = 3.684 (3), 3.711 (3), 3.790 (3), 3.847 (3), 3.746 (3), 3.732 (3) and 3.729 (3) Å]. This architecture is further stabilized by O-H⋯O hydrogen bonds involving the lattice water mol-ecules and sulfate O atoms.

| S-EPMC3246986 | biostudies-literature

catena-Poly[[tetra-kis(μ(2)-acetato-κO:O')dicopper(II)(Cu-Cu)]-μ(2)-acetato-κO:O'-[bis-[μ(2)-3-(dimethyl-amino)propan-1-olato]-κN,O:O;κO:N,O-bis-[(tetra-hydro-furan-κO)copper(II)]]-μ(2)-acetato-κO:O'].

Project description:The title complex, [Cu(4)(C(5)H(12)NO)(2)(C(2)H(3)O(2))(6)(C(4)H(8)O)(2)](n), consists of dinuclear [Cu(2)(C(5)H(12)NO)(2)(THF)(2)] (THF is tetra-hydro-furan) and [Cu(2)(CH(3)COO)(4)] units linked through acetate ions, generating parallel one-dimensional polymeric chains propagating in the [10] direction. In the first dinuclear unit, Cu(II) ions related by inversion symmetry are bridged by two 3-(dimethyl-amino)propan-1-olate ligands. Likewise, a pair of inversion-related Cu(II) ions are bridged by four acetate groups. The crystallographically independent Cu centers are linked to one another by a single bridging acetate group, generating an infinite chain. The distorted square-pyramidal coordination of the first metal center is completed with an apical THF mol-ecule, with a long Cu-O bond length of 2.476 (5) Å. The geometry around the other metal atom is close to octa-hedral, and the Cu⋯Cu separation in this unit is 2.652 (1) Å. The distance between the metal centers in the first dinuclear unit is considerably longer [3.068 (1) Å], suggesting little or no bonding inter-action. The Cu⋯Cu separation between two acetate-bridged independent Cu centers is 4.860 (2) Å. The THF mol-ecule has methyl-ene groups disordered over two positions, with occupancies of 0.608 (13) and 0.392 (13).

| S-EPMC2960524 | biostudies-literature

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