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Catena-Poly[[(6,7,9,10,17,18,20,21-octa-hydro-5,8,11,16,19,22-hexa-oxadibenzo[a,j]cyclo-octa-decene)barium]-di-μ-thio-cyanato-[thio-cyanato-diaurate(I)(Au-Au)]-μ-thio-cyanato].

ABSTRACT: In the title compound, [Au(2)Ba(NCS)(4)(C(20)H(24)O(6))](n), the dithio--cyanato-aurate(I) anion adopts a dimeric structure with an Au⋯Au distance of 3.1109 (10) Å; both Au(I) atoms are also bonded to two S atoms. The Ba(II) ion adopts an irregular BaN(3)O(6) geometry, arising from the crown ether and three adjacent thio-cyanate N atoms; the extended structure of the complex can be described as a one-dimensional coordination polymer generated by the Ba⋯N inter-actions (two on the endo side and one on the exo side of the crown ether) running parallel to the b axis, with an anti-parallel arrangement of ribbons in the unit cell.

SUBMITTER: Stroud TL

PROVIDER: S-EPMC2971920 | biostudies-literature |

REPOSITORIES: biostudies-literature

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catena-Poly[ammonium (cadmium-tri-?-thio-cyanato-?S:N;?N:S)-1,4,10,13,16-hexa-oxa-cyclo-octa-decane (1/1)].

Project description:In the title compound, {(NH(4))[Cd(NCS)(3)]·C(12)H(24)O(6)}(n), the Cd(2+) ion, the ammonium cation, one of the SCN(-) ligands and the macrocycle are located on mirror planes. The thiocyanate anions act as bridging ligands between the Cd(II) ions, leading to a polymeric chain arrangement extending along [001] around a twofold screw axis. The ammonium ions are contained within the bowl of the macrocycle via extensive N-H?O hydrogen bonding.

| S-EPMC3297278 | biostudies-literature

Diammonium tetra-kis-(iso-thio-cyanato)-zincate-1,4,10,13,16-hexa-oxa-cyclo-octa-deca-ne-water (1/2/1).

Project description:The title compound, (NH4)2[Zn(NCS)4]·2C12H24O6·H2O, the result of the reaction of ammonium thio-cyanate, 18-crown-6 and zinc(II) chloride in aqueous solution, exhibits an unusual supra-molecular structure. The Zn atom, two of the thio-cyanate chains and a water mol-ecule, disordered over two positions, lie on a mirror plane. The macrocycle adopts a conformation with approximate D 3d symmetry. The ammonium mol-ecules are contained within the bowl of the macrocycle via extensive N-H⋯O hydrogen bonds and the complex mol-ecules are linked via N-H⋯S hydrogen bonds, forming chains along the c-axis direction. The macrocycle is disordered over two positions [refined occupancy ratio = 0.666 (8):0.334 (8)]. The S atoms of two iso-thio-cyanate ligands are disordered within and about the mirror plane.

| S-EPMC3793699 | biostudies-literature

catena-Poly[silver(I)-bis-[μ-bis-(diphenyl-phosphino)methane-κP:P']-μ-thio-cyanato-κS:S-silver(I)-μ-thio-cyanato-κS:N].

Project description:The title compound, [Ag(NCS)(C(25)H(22)P(2))](n), contains two Ag(+) ions, two thio-cyanate ions and two bis-(diphenyl-phosphino)methane (dppm) ligands in the asymmetric unit. One of the thiocyanate ions bridges the two Ag(+) ions in a μ(2)-mode from its S atom and the two dppm ligands bridge the silver ions in a μ(1),μ(1) mode. The remaining SCN(-) ion bridges the binuclear units via its N and S atoms, generating a one-dimensional polymer propagating in [01]: the resulting AgP(2)SN and AgP(2)S(2) coordination geometries could be described as distorted tetra-hedral.

| S-EPMC2983356 | biostudies-literature

catena-Poly[[(1,10-phenanthroline-κN,N')copper(I)]-μ-thio-cyanato-κN:S].

Project description:In the title complex, [Cu(NCS)(C(12)H(8)N(2))](n), the Cu(I) ion is in a distorted tetra-hedral CuN(3)S coordination geometry. The thio-cyanate ligand acts as bridging ligand, forming chains along [100]. A crystallographic mirror plane runs through the Cu(I) ion, the thio-cyanate ligand and the middle of the phenanthroline ligand.

| S-EPMC2983214 | biostudies-literature

?-Hexa-thio-metadiphosphato-bis-[(1,4,7,10,13,16-hexa-oxa-cyclo-octa-decane-?(6) O)rubidium] aceto-nitrile disolvate.

Project description:The asymmetric unit of the title compound, [Rb2(P2S6)(C12H24O6)2]·2CH3CN, contains one half of an [Rb(18-crown-6)2]2[P2S6] unit and one aceto-nitrile solvent mol-ecule. The [Rb(18-crown-6)]2[P2S6] unit is completed by inversion symmetry. Its Rb(+) ion is situated near the centre of the macrocyclic cavity, but is displaced by 0.8972?(1)?Å from the O atoms of the crown in the direction of the [P2S6](2-) moiety. The overall coordination number of the cation is eight, defined by the six crown ether O atoms and by two terminal S atoms of the [P2S6](2-) anion. The hexa-thio-metadiphosphate anion is built up from two tetra-hedral PS4 units joined together by a common edge. The crystal structure is characterized by alternating layers of [Rb(18-crown-6)]2[P2S6] and aceto-nitrile solvent mol-ecules stacked along [010].

| S-EPMC4004430 | biostudies-literature

Poly[tris-[μ(2)-2-(pyrazol-1-yl)pyrazine]hexa-μ(1,3)-thio-cyanato-tricadmium(II)].

Project description:The asymmetric unit of the title crystal structure, [Cd(3)(NCS)(6)(C(7)H(6)N(4))(2)](n), contains two independent Cd(II) ions, one of which is located on a crystallographic inversion center. Each independent Cd(II) ion is in a slightly distorted octa-hedral coordination environment, but the disortion from ideally octa-hedral is greater in the environment of the Cd(II) ion on a general position. Both thio-cyanate ligands act as bridges connecting independent Cd(II) ions, and the 2-(pyrazol-1-yl)pyrazine ligands chelate one Cd(II) ion in a bidentate mode while the remaining N atom of the pyrazine ring coordinates to a symmetry-related Cd(II) ion, forming a two-dimensional structure parallel to (211).

| S-EPMC2959520 | 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[(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

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-(μ(2)-1,4,7,10,13,16-hexa-oxacyclo-octa-deca-ne)dipotassium]-μ(2)-iodido-(iodidocadmium)-di-μ(2)-iodido-(iodidocadmium)-μ(2)-iodido].

Project description:The reaction of CdCl(2), 18-crown-6 and KI in water yields the title coordination polymer, [{K(C(12)H(24)O(6))}(2)Cd(2)I(6)](n). The potassium ion lies approximately in the plane of the crown ether, coordinated by all six crown ether O atoms and also by an iodide anion bound to a cadmium atom. A C atom of the crown ether is disordered over two positions with site occupancies of 0.77 (2) and 0.23 (2). Two K(18-crown-6)(+) units are linked by inversion symmetry, forming a [bis-(μ(2)-18-crown-6)dipottasium] system with approximately square-planar K(2)O(2) units. Inversion symmetry also generates the Cd(2)I(6) fragment and the polymeric system is extended along the c axis by the formation of K-I-Cd bridges.

| S-EPMC3569213 | biostudies-literature

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