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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]].

ABSTRACT: 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.

SUBMITTER: Wohlert S

PROVIDER: S-EPMC3246934 | biostudies-literature | 2011 Nov

REPOSITORIES: biostudies-literature

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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]].

Wöhlert Susanne S Jess Inke I Näther Christian C

Acta crystallographica. Section E, Structure reports online 20111008 Pt 11

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)- ...[more]

PMID: 22219754

Similar Datasets

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

Project description:In the title compound, {(C(12)H(12)N(2))[Fe(NCS)(4)]}(n), each Fe(II) cation is coordinated by four N-bonded and two S-bonded thio-cyanate anions in an octa-hedral coordination mode. The asymmetric unit consists of one Fe(II) cation, located on a center of inversion, as well as one protonated (E)-4,4'-(ethene-1,2-di-yl)dipyridinium dication and two thio-cyanate anions in general positions. The crystal structure consists of Fe-(NCS)(2)-Fe chains extending along the a axis, in which two further thio-cyanate anions are only terminally bonded via nitro-gen. Non-coordinating (E)-4,4'-(ethene-1,2-di-yl)dipyrid-inium cations are found between the chains.

| S-EPMC2983361 | biostudies-literature

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[[{N,N-dimethyl-N'-[1-(pyridin-2-yl)ethyl-idene]ethane-1,2-diamine-κN,N',N''}(thio-cyanato-κN)cadmium]-μ-thio-cyanato-κS:N].

Project description:In the title compound, [Cd(NCS)(2)(C(11)H(17)N(3))](n), the Cd(II) atom is octa-hedrally coordinated by the N,N',N''-tridentate Schiff base ligand and one terminal thio-cyanate N atom. Two trans-N:S-bridging thio-cyanates complete the N(5)S donor set around the Cd atom. In the crystal, adjacent Cd(II) ions are linked by the thio-cyanate N:S-bridges into polymeric chains along the c axis.

| S-EPMC3099776 | biostudies-literature

Di-μ-thio-cyanato-κN:S;κS:N-bis-[bis-(2-methyl-1H-benzimidazole-κN)(thio-cyanato-κN)cadmium(II)].

Project description:The title compound, [Cd(2)(NCS)(4)(C(8)H(8)N(2))(4)], is a centrosymmetric dinuclear cadmium(II) complex in which each two metal ions are linked by a pair of thio-cyanate N:S-bridges. Two 2-methyl-benzimidazole N-atom donors and one terminal thio-cyanate N atom complete a highly distorted square-pyramidal geometry around the Cd atom. In the crystal structure, two N-H⋯S hydrogen-bonding inter-actions occur, resulting in a three-dimensional polymeric structure. The apical 2-methyl-benzimidazole ring and its symmetry-related counterpart are arranged in an anti-parallel manner with a centroid-centroid separation of 3.6050 (14) Å, indicative of a π-π inter-action.

| S-EPMC3009005 | biostudies-literature

A second polymorph of catena-poly[[(1,10-phenanthroline-κN,N')copper(II)]-di-μ-thio-cyanato-κN:S;κS:N].

Project description:In the title coordination polymer, [Cu(NCS)(2)(C(12)H(8)N(2))](n), the Cu(II) atom is situated on a twofold rotation axis and is coordinated by two N atoms from the bidentate 1,10-phenanthroline ligand and four thio-cyanate groups to confer a CuN(4)S(2) octa-hedral geometry and resulting in a layer structure extending parallel to (100).

| S-EPMC3099897 | biostudies-literature

catena-Poly[[(8-amino-quinoline-κN,N')cadmium]-di-μ-thio-cyanato-κN:S;κS:N-[(8-amino-quinoline-κN,N')cadmium]-di-μ-chlorido].

Project description:In the title compound, [CdCl(NCS)(C(9)H(8)N(2))](n), the Cd(II) atom is in a distorted octa-hedral coordination environment defined by two chloride anions, two N atoms from an 8-amino-quinoline ligand, one N atom from one thio-cyanate anion and one S atom from a symmetry-related thio-cyanate anion. Two Cd(II) atoms are bridged by two chloride anions, forming an inversion-related Cd(2)Cl(2) unit; these units are further linked through thio-cyanate anions, leading to a chain structure extending parallel to [010]. Weak π-π stacking inter-actions with centroid-centroid distances of 3.430 (4) Å and an inter-planar separation of 3.390 (3) Å between the pyridine and benzene rings link the chains into a two-dimensional network parallel to (10[Formula: see text]). Weak inter-molecular C-H⋯Cl hydrogen-bonding inter-actions help to consolidate the crystal packing.

| S-EPMC3254276 | biostudies-literature

catena-Poly[[bis-[2-(1H-1,2,4-triazol-1-yl-κN)pyrazine]cadmium(II)]-di-μ-thio-cyanato-κS:N;κN:S].

Project description:The title compound, [Cd(NCS)(2)(C(6)H(5)N(5))(2)](n), is a coordination polymer with the Cd(II) centre located on a twofold rotation axis. The Cd(II) centre assumes a distorted octa-hedral geometry. The thio-cyanate anions function as bridging ligands between the Cd(II) centres, leading to a chain-like arrangement expanding along [001].

| S-EPMC2977348 | biostudies-literature

catena-Poly[[dimethyl-bis-(thio-cyanato-κN)tin(IV)]-μ-(4,4'-bipyridine-κN:N')].

Project description:The title dimethyl-tin diisothio-cyanate adduct of 4,4'-bipyridine, [Sn(CH(3))(2)(NCS)(2)(C(10)H(8)N(2))](n), adopts a chain motif in which the N-heterocycle functions as a bridge to adjacent all-trans octa-hedrally coordinated tin atoms. The Sn(IV) atom lies on a special position of 2/m site symmetry, the methyl C atom on a special position of 2 site symmetry, and the thio-cyanate and 4,4'-bipyridine on a special position of m site symmetry.

| S-EPMC3052023 | biostudies-literature

catena-Poly[[diaqua-bis(thio-cyanato-κN)cobalt(II)]-μ-4,4'-bipyridine-κN:N'] 4,4'-bipyridine solvate].

Project description:In the title complex, {[Co(NCS)(2)(C(10)H(8)N(2))(H(2)O)(2)]·C(10)H(8)N(2)}(n), the Co(II) ion is located on an inversion centre and is coordinated by two N atoms from the two 4,4'-bipyridine ligands, two O atoms from the water mol-ecule, and two N atoms from two isothio-cyanate ions in a distorted octa-hedral environment. In the crystal, the coordinated water mol-ecules, isothio-cyanate ions and solvent 4,4'-bipyridine mol-ecules are linked by O-H⋯S and O-H⋯N hydrogen bonds into layers parallel to the ab plane.

| S-EPMC2969491 | biostudies-literature

catena-Poly[[(2-amino-pyrimidine-κN(1))(thio-cyanato-κS)mercury(II)]-μ-thio-cyanato-κ(2)S:N].

Project description:In the title coordination polymer, [Hg(NCS)(2)(C(4)H(5)N(3))], the Hg(II) atom is four-coordinated by one aromatic N atom from a 2-amino-pyrimidine ligand, one S atom from a terminal thio-cyanate ligand, and one S atom and one N atom from a bridging thio-cyanate ligand. The crystal structure features polymeric chains running along the b axis which are stabilized by N-H⋯N hydrogen bonds.

| S-EPMC3344369 | biostudies-literature

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