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Bis(μ-1,2-bis-{[2-(2-pyrid-yl)-1H-imidazol-1-yl]meth-yl}benzene)bis-[bis-(thio-cyanato-κN)cadmium(II)].

ABSTRACT: The asymmetric unit of the binuclear title compound, [Cd(2)(NCS)(4)(C(24)H(20)N(6))(2)], contains one half-mol-ecule, consisting of one Cd(2+) cation, two half 1,2-bis-{[2-(2-pyrid-yl)-1H-imidazol-1-yl]meth-yl}benzene (L) ligands and two SCN(-) anions. The dimeric cyclic mol-ecule is completed by crystallographic inversion symmetry. The Cd(2+) cation is coordinated by two N atoms from two SCN(-) anions and four N atoms from two symmetry-related L ligands, exhibiting a distorted octrahedral coordination. A two-dimensional supra-molecular network stacked parallel to [210] is finally formed by linking these dimers through weak π-π stacking inter-actions between the pyridine rings and benzene rings of adjacent dimers, with a plane-to-plane distance of 3.36 (6) Å and a centroid-centroid distance of 3.67 (2) Å. One of the thio-cyanate S atoms is equally disordered over two positions.

SUBMITTER: Liu H

PROVIDER: S-EPMC2983974 | biostudies-literature |

REPOSITORIES: biostudies-literature

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catena-Poly[[bis-(pyridine-κN)cadmium]-di-μ(2)-thio-cyanato-κN:S;κS:N].

Project description:The asymmetric unit of the title compound, [Cd(NCS)(2)(C(5)H(5)N)(2)](n), consists of two crystallographically independent Cd(II) cations, four thio-cyanato anions and four pyridine ligands. The Cd(II) atoms are each coordinated by four N atoms from two pyridine ligands and two thio-cyanato anions, each in a mutually cis orientation, and by two S atoms from two adjacent thio-cyanato anions within a slightly distorted octa-hedral coordination environment. The Cd(II) atoms are μ-1,3-bridged via the thio-cyanato anions into polymeric chains parallel to [001]. The Cd(II)⋯Cd(II) intra-chain separations range between 5.9688 (6) and 6.0195 (6) Å, whereas the shortest Cd(II)⋯Cd(II) inter-chain separations are 7.8272 (7) and 8.6312 (6) Å.

| S-EPMC3099960 | biostudies-literature

catena-Poly[[[bis-(thio-cyanato-?N)zinc(II)]-?-1,2-bis-{[2-(2-pyrid-yl)-1H-imidazol-1-yl]meth-yl}benzene] 0.28-hydrate].

Project description:The title one-dimensional coordination polymer, {[Zn(NCS)(2)(C(24)H(20)N(6))(2)]·0.28H(2)O}(n), was obtained by the reaction of Zn(OAc)(2)·2H(2)O, KSCN and 1,2-bis-{[2-(2-pyrid-yl)-1H-imid-azol-1-yl]meth-yl}benzene (hereafter L). The Zn(II) ion shows a distorted octa-hedral coordination geometry and is coordin-ated by two N atoms from two SCN(-) anions and four N atoms from two organic ligands. The L ligands act as bridging bis-chelating ligands with cis coordination modes at the Zn(II) ion. One-dimensional coordination polymers are arranged into layers by ?-? stacking inter-actions between the imidazole rings of adjacent chains, with an inter-planar distance of 3.46?(1)?Å and centroid-centroid distances of 3.8775?(16)?Å. One of the thio-cyanate ligands is disordered over two positions with an occupancy factor of 0.564?(3) for the major component. The partially occupied water mol-ecule forms an O-H?S hydrogen bond with the disordered thio-cyanate group.

| S-EPMC3007418 | biostudies-literature

Bis{2-[(2,4-dimethyl-phen-yl)imino-meth-yl]pyridine-κN,N'}bis-(thio-cyanato-κN)cadmium.

Project description:The title compound, [Cd(NCS)(2)(C(14)H(14)N(2))(2)], features crystallographic inversion symmetry with the Cd(II) ion located on a centre of inversion. The Cd(II) ion is six-coordinated in a slightly distorted octa-hedral geometry with the thiocyanate anions in axial positions. The angle between the benzene and pyridine rings is 69.64 (9)°. An inter-molecular C-H⋯S hydrogen bond stabilizes the crystal structure.

| S-EPMC3274934 | biostudies-literature

catena-Poly[(E)-4,4'-(ethane-1,2-di-yl)dipyridinium [[bis-(thio-cyanato-κN)ferrate(II)]-di-μ-thio-cyanato-κN:S;κS:N]].

Project description:In the crystal structure of the title compound, {(C(12)H(14)N(2))[Fe(NCS)(4)]}(n), the iron(II) cation is coordinated by four N-bonded and two S-bonded thio-cyanate anions in a distorted octa-hedral coordination mode. The asymmetric unit consists of half an iron(II) cation and half a protonated (E)-4,4'-(ethane-1,2-di-yl)dipyridinium dication, each located on a centre of inversion. In addition, there are two thio-cyanate anions in general positions. The crystal structure consists of Fe-(NCS)(2)-Fe chains in which each iron(II) cation is additionally coordinated by two terminal N-bonded thio-cyanate anions. Non-coordinating dipyridinium dications are present between the thiocyanatoferrate(II) chains and are connected to the anions via N-H⋯N and N-H⋯S hydrogen-bond interactions.

| S-EPMC3246934 | biostudies-literature

[2-(3,5-Dimethyl-1H-pyrazol-1-yl-κN)-1,10-phenanthroline-κN,N']bis-(thio-cyanato-κN)cadmium(II).

Project description:In the title complex, [Cd(NCS)(2)(C(17)H(14)N(4))], the Cd(II) ion is in a distorted trigonal-bipyramidal CdN(5) coordination geometry. In the crystal structure, there is a π-π stacking inter-action involving a pyrazole ring and a symmetry-related pyridine ring with a centroid-centroid distance of 3.578 (3) Å.

| S-EPMC2970966 | biostudies-literature

{N,N'-Bis[1-(2-pyrid-yl)ethyl-idene]propane-1,2-diamine-κN,N',N'',N'''}bis-(thio-cyanato-κN)manganese(II).

Project description:In the title compound, [Mn(NCS)(2)(C(17)H(20)N(4))], the Mn(II) atom is six-coordinated by the N,N',N'',N'''-tetra-dentate Schiff base ligand and by two trans-N atoms from two thio-cyanate anions, forming a distorted octa-hedral geometry. The dihedral angle between the aromatic rings of the Schiff base is 9.5 (3)°.

| S-EPMC3006985 | biostudies-literature

Bis[μ-1,4-bis-(4,5-dihydro-1H-imidazol-2-yl)benzene-κN:N]silver(I) dinitrate dihydrate.

Project description:The reaction of 1,4-bis-(4,5-dihydro-1H-imidazol-2-yl)benzene (bib) with silver(I) nitrate in a 1:1 molar ratio generates the metallacyclic title complex, [Ag(2)(C(12)H(14)N(4))(2)](NO(3))(2)·2H(2)O, in which the bib ligand displays a cis configuration. Each bib ligand acts as a bidentate bridging ligand connecting a pair of Ag(I) ions to form a [2 + 2] metallamacrocycle in which the Ag⋯Ag distance is 6.77 (2) Å. Each Ag(I) ion has weak contacts (2.91 Å) with the nitrate anion. The uncoordinated water mol-ecules make hydrogen bonds with nitrate O atoms, forming chains. The H atoms attached to the uncoordinated nitro-gen inter-act with these chains through N-H⋯O hydrogen bonds, forming layers parallel to the (11) plane.

| S-EPMC2960425 | biostudies-literature

Poly[bis-[μ-1,3-bis-(diphenyl-phosphan-yl)propane-κP:P']-di-μ-thio-cyanato-κS:N;κN:S-disilver(I)].

Project description:In the title coordination polymer, [Ag(2)(NCS)(2)(C(27)H(26)P(2))(2)](n), two centrosymmetrically related Ag(+) cations are linked by two thio-cyanate anions into binuclear eight-membered macrocycles. The Ag⋯Ag separation within the macrocycle is 5.4400 (6) Å. The distorted tetra-hedral coordination about each metal atom is completed by the P atoms of two bridging 1,3-bis-(diphenyl-phosphan-yl)propane ligands, forming polymeric ribbons parallel to the a axis.

| S-EPMC3246955 | biostudies-literature

Poly[bis-(acetonitrile-κN)di-μ-thio-cyanato-κN,S;κS,N-nickel(II)].

Project description:In the title compound, [Ni(NCS)(2)(CH(3)CN)(2)](n), the Ni(II) cation is coordinated by two N-bonded and two S-bonded thio-cyanate anions, as well as two acetonitrile mol-ecules in an octa-hedral NiN(4)S(2) coordination mode. The asymmetric unit comprises one nickel cation, two thio-cyanate anions and two actonitrile mol-ecules. In the crystal, the Ni(II) cations are connected by bridging thio-cyanate anions into a three-dimensional coordination network.

| S-EPMC3051924 | biostudies-literature

catena-Poly[[[diaqua-manganese(II)]-bis-[μ-1,3-bis-(1H-imidazol-1-ylmeth-yl)benzene-κN:N]] dinitrate].

Project description:In the title compound, {[Mn(C(14)H(14)N(4))(2)(H(2)O)(2)](NO(3))(2)}(n), the Mn(II) ion is located on an inversion center and is coordinated by four N atoms from four 1,3-bis-(1H-imidazol-1-ylmeth-yl)benzene (L) ligands and two water mol-ecules in a distorted octa-hedral geometry. Two L ligands are related by a centre of symmetry and bridge Mn(II) ions, forming a positively charged polymeric chain in [101]. Uncoordinated nitrate anions further link these chains into layers parallel to the ac plane via O-H⋯O hydrogen bonds.

| S-EPMC3246916 | biostudies-literature

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