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Poly[[tetra-kis-(μ(2)-pyrazine N,N'-dioxide-κO:O')erbium(III)] tris-(perchlorate)].

ABSTRACT: The title three-dimensional coordination network, {[Er(C(4)H(4)N(2)O(2))(4)](ClO(4))(3)}(n), is isostructural to that of other lanthanides. The Er(+3 )cation lies on a fourfold roto-inversion axis. It is coordinated in a distorted square-anti-prismatic fashion by eight O atoms from bridging pyrazine N,N'-dioxide ligands. There are two unique pyrazine N,N'-dioxide ligands. One ring is located around an inversion center, and there is a a twofold rotation axis at the center of the other ring. There are also two unique perchlorate anions. One is centered on a twofold rotation axis and the other on a fourfold roto-inversion axis. The perchlorate anions are located in channels that run perpendicular to (001) and (110) and inter-act with the coordination network through C-H⋯O hydrogen bonds.

SUBMITTER: Buchner JD

PROVIDER: S-EPMC3007994 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Poly[[tetra-kis-(μ(2)-pyrazine N,N'-dioxide-κO:O')holmium(III)] tris-(perchlorate)].

Project description:The title three-dimensional coordination network, {[Ho(C(4)H(4)N(2)O(2))(4)](ClO(4))(3)}(n), is isostructural to that of other lanthanides. The Ho(+3 )cation lies on a fourfold roto-inversion axis. It is coordinated in a distorted square anti-prismatic fashion by eight O atoms from bridging pyrazine N,N'-dioxide ligands. There are two unique pyrazine N,N'-dioxide ligands. One ring is located around an inversion center, and there is a a twofold rotation axis at the center of the other ring. There are also two unique perchlorate anions. One is centered on a twofold rotation axis and the other on a fourfold roto-inversion axis. The perchlorate anions are located in channels that run perpendicular to (001) (110) and inter-act with the coordination network through C-H⋯O hydrogen bonds.

| S-EPMC3007832 | biostudies-literature

Poly[[tetra-kis-(μ(2)-pyrazine N,N'-dioxide-κO:O')dysprosium(III)] tris-(perchlorate)].

Project description:The title three-dimensional coordination network, {[Dy(C(4)H(4)N(2)O(2))(4)](ClO(4))(3)}(n), is isostructural of other lanthanides. The Dy(+3 )cation lies on a fourfold roto-inversion axis. It is coordinated in a distorted square-anti-prismatic fashion by eight O atoms from bridging pyrazine N,N'-dioxide ligands. There are two unique pyrazine N,N'-dioxide ligands. One ring is located around an inversion center, and there is a a twofold rotation axis at the center of the other ring. There are also two unique perchlorate anions. One is centered on a twofold rotation axis and the other on a fourfold roto-inversion axis. The perchlorate anions are located in channels that run perpendicular to (001) and (110) and inter-act with the coordination network through C-H⋯O hydrogen bonds.

| S-EPMC3007906 | biostudies-literature

Poly[[tetra-kis-(μ(2)-pyrazine N,N'-dioxide-κO:O')neodymium(III)] tris-(perchlorate)].

Project description:The title three-dimensional coordination network, {[Nd(C(4)H(4)N(2)O(2))(4)](ClO(4))(3)}(n), is isostructural to that of other lanthanides. The Nd(+3 )cation lies on a fourfold roto-inversion axis. It is coordinated in a distorted square-anti-prismatic fashion by eight O atoms from bridging pyrazine N,N'-dioxide ligands. There are two unique pyrazine N,N'-dioxide ligands. One ring is located around an inversion center, and there is a twofold rotation axis at the center of the other ring. There are also two unique perchlorate anions. One is centered on a twofold rotation axis and the other on a fourfold roto-inversion axis. The perchlorate anions are located in channels that run perpendicular to (001) and (110) and inter-act with the coordination network through C-H⋯O hydrogen bonds.

| S-EPMC3008011 | biostudies-literature

Poly[bis-(methanol-κO)tris-(μ-pyrimidine-κN:N')tetra-kis(thio-cyanato-κN)dinickel(II)].

Project description:In the crystal structure of the title compound, [Ni(2)(NCS)(4)(C(4)H(4)N(2))(3)(CH(3)OH)(2)](n), each nickel(II) cation is coordinated by three N-bonded pyrimidine ligands, two N-bonded thio-cyanate anions and one O-bonded methanol mol-ecule in a distorted octa-hedral environment. The asymmetric unit consists of one nickel cation, two thio-cyanate anions and one methanol mol-ecule in general positions, as well as one pyrimidine ligand located around a twofold rotation axis. The crystal structure consists of μ-N:N' pyrimidine-bridged zigzag-like nickel thio-cyanate chains; these are further linked by μ-N:N-bridging pyrimidine ligands into layers which are stacked perpendicular to the b axis. The layers are connected via weak O-H⋯S hydrogen bonding.

| S-EPMC2968860 | biostudies-literature

Poly[[tetra-kis-(μ-2-anilinobenzoato-κO:O')tetra-μ(1,1,1)-azido-tetra-μ(1,1)-azido-octa-methano-lhexa-nickel(II)] methanol hexa-solvate].

Project description:The crystal structure of the title compound, [Ni(6)(C(13)H(10)NO(2))(4)(N(3))(8)(CH(3)OH)(8)]·6CH(3)OH, consists of a centrosymmetric hexa-nuclear [Ni(II) (6)(C(13)H(10)NO(2))(4)(N(3))(8)(CH(3)OH)(8)] mol-ecule and six methanol solvent mol-ecules. In the hexa-nuclear unit, the six octa-hedrally coordinated Ni(II) atoms are linked by four μ(1,1,1)-azide and four μ(1,1)-azide bridges, forming a face-sharing Ni(6)N(8) tetra-cubane-like unit with four missing corners. The Ni(II) atoms are further bridged by four μ(1,2)-carboxalate groups. Neighbouring hexa-nuclear units are connected via N-H⋯O hydrogen-bonding inter-actions into a three-dimensional structure. Although the H atoms of the methanol OH groups could not be located, O⋯N/O contacts between 2.65 and 2.86 Å suggest that these mol-ecules participate in hydrogen bonding.

| S-EPMC3051959 | biostudies-literature

Tetra-kis(μ-penta-fluoro-benzoato-κO:O')bis-[(tetra-hydro-furan-κO)molybdenum(II)].

Project description:In the asymmetric unit of the title compound, [Mo(2)(C(7)F(5)O(2))(4)(C(4)H(8)O)(2)], two independent half-mol-ecules are present, which are completed by a crystallographically imposed center of inversion between the individual Mo atoms. In each mol-ecule, four penta-fluoro-benzoate anions bridge the quadruply bonded Mo(2) (4+) unit that is, in addition, axially coordinated by two O atoms of tetra-hydro-furan (THF) mol-ecules. In the two independent mol-ecules, the mean Mo-Mo bond length is 2.110 Å. Since the THF mol-ecules are equally disordered over two sets of sites, there are four different Mo-O distances in both half-mol-ecules with an overall mean of 2.542 Å. A zigzag chain is formed by π-π stacking inter-actions between penta-fluoro-phenyl rings, indicated by a centroid-centroid distance of 3.7054 (11) Å and a centroid-to-plane distance of 3.4169 (3) Å. The extension of the unit gives a three-dimensional network structure with the THF mol-ecules located in the voids.

| S-EPMC3200930 | biostudies-literature

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

Project description: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.

| S-EPMC3051987 | biostudies-literature

Tris(3-amino-pyrazine-2-carboxyl-ato-?N,O)diaqua-erbium(III) tetra-hydrate.

Project description:The water-coordinated Er(III) atom in the title compound, [Er(C(5)H(4)N(3)O(2))(3)(H(2)O)(2)]·4H(2)O, is N,O-chelated by three 3-amino-pyrazine-2-carboxyl-ate ions and has a square-anti-prismatic geometry. The mononuclear mol-ecule inter-acts with the solvent water mol-ecules to generate a three-dimensional hydrogen-bonded network.

| S-EPMC3200703 | biostudies-literature

Poly[tetra-kis-(dimethyl-formamide)tris(?(4)-terephthalato)trimagnesium].

Project description:The title framework compound, [Mg(3)(C(8)H(4)O(4))(3)(C(3)H(7)NO)(4)](n) or [Mg(3)(bdc)(3)(DMF)(4)](n), was obtained as a side product of the solvothermal reaction of magnesium nitrate, terephthalic acid (bdcH(2)), and 1,3-bis-(4-pyrid-yl)propane in a 1:2:1 ratio in dimethyl-formamide (DMF). The asymmetric unit consists of three Mg(II) cations, three terephthalate anions, and four coordinating DMF mol-ecules. One of the four DMF mol-ecules was refined as disordered over two mutually exclusive positions, with an occupancy rate for the major moiety of 0.923?(4). The three Mg(II) cations possess distorted octa-hedral coordination geometries that form linear Mg trimers. Of the three Mg(II) cations, the central Mg(II) is octa-hedrally coordinated by six different carboxyl-ate O atoms. The terminal Mg(II) cations are bonded to four O atoms of three bdc linkers and to two O atoms of coordinating DMF mol-ecules. The compound has a two-dimensional 3(6)-network structure parallel to (001) that is formed by connection of the Mg trimers as distorted octa-hedral nodes to the bdc ligands as linkers.

| S-EPMC3470164 | biostudies-literature

catena-Poly[[tris[silver(I)-μ-4,4'-bi-pyridine-κN:N']] tris-(perchlorate) di-hydrate].

Project description:In the title compound, {[Ag(3)(C(10)H(8)N(2))(3)](ClO(4))(3)·2H(2)O}(n), one of the Ag(I) ions, one of the 4,4'-bipyridine (bipy) ligands and one of the perchlorate anions are each situated on a twofold rotation axis. Each Ag(I) ion is coordinated by two N atoms from two bridging bipy ligands, forming chains along [101]. π-π inter-actions between the pyridine rings [centroid-centroid distances = 3.638 (8) and 3.688 (8) Å] connect the chains. Inter-molecular O-H⋯O hydrogen bonds link the uncoord-inated water mol-ecules and the perchlorate anions.

| S-EPMC3246936 | biostudies-literature

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