Synthesis and crystal structure of poly[[μ-chlorido-μ-(2,3-di-methyl-pyrazine)-copper(I)] ethanol hemisolvate], which shows a new isomeric CuCl(2,3-di-methyl-pyrazine) network.

Reaction of copper(I)chloride with 2,3-di-methyl-pyrazine in ethanol leads to the formation of the title compound, poly[[μ-chlorido-μ-(2,3-di-methyl-pyrazine)-copper(I)] ethanol hemisolvate], {[CuCl(CHN)]·0.5CHOH} or CuCl(2,3-di-methyl-pyrazine) ethanol hemisolvate. Its asymmetric unit consists of two crystallographically independent copper cations, two chloride anions and two 2,3-di-methyl-pyrazine ligands as well as one ethanol solvate mol-ecule in general positions.

Synthesis and crystal structure of poly[ethanol(μ-4-methyl-pyridine -oxide)di-μ-thio-cyanato-cobalt(II)].

Reaction of 4-methyl-pyridine -oxide and Co(NCS) in ethanol as solvent accidentally leads to the formation of single crystals of Co(NCS)(4-methyl-pyridine -oxide)(ethanol) or [Co(NCS)(CHNO)(CHO)] . The asymmetric unit of the title compound consists of one Co cation, two crystallographically independent thio-cyanate anions, one 4-methyl-pyridine -oxide coligand and one ethanol mol-ecule on general positions. The cobalt cations are sixfold coordinated by one terminal and two bridging thio-cyanate anions, two bridging 4-methyl-pyridine -oxide coligands and one ethanol mol-ecule, with a slightly distorted octa-hedral geometry.

Synthesis, crystal structure and thermal properties of the dinuclear complex bis-(μ-4-methylpyridine -oxide-κ:)bis-[(methanol-κ)(4-methylpyridine -oxide-κ)bis-(thio-cyanato-κ)cobalt(II)].

Reaction of Co(NCS) with 4-methyl-pyridine -oxide in methanol leads to the formation of crystals of the title compound, [Co(NCS)(CHNO)(CHO)] or Co(NCS)(4-methyl-pyridine -oxide)(methanol). The asymmetric unit consist of one Co cation, two thio-cyanate anions, two 4-methyl-pyridine -oxide coligands and one methanol mol-ecule in general positions. The H atoms of one of the methyl groups are disordered and were refined using a split model.

Synthesis, crystal structure and properties of the trigonal-bipyramidal complex tris-(2-methyl-pyridine -oxide-κ)bis-(thio-cyanato-κ)cobalt(II).

Reaction of Co(NCS) with 2-methyl-pyridine -oxide in a 1:3 ratio in -butanol leads to the formation of crystals of tris-(2-methyl-pyridine -oxide-κ)bis-(thio-cyanato-κ)cobalt(II), [Co(NCS)(CHNO)]. The asymmetric unit of the title compound consists of one Co cation two thio-cyanate anions and three crystallographically independent 2-methyl-pyridine -oxide coligands in general positions. The Co cations are trigonal-bipyramidally coordinated by two terminal N-bonding thio-cyanate anions in the -positions and three 2-methyl-pyridine -oxide coligands into discrete complexes.

Synthesis, crystal structure and thermal properties of di-bromido-bis-(2-methyl-pyridine -oxide-κ)cobalt(II).

Reaction of CoBr with 2-methyl-pyridine -oxide in -butanol leads to the formation of the title compound, [CoBr(CHNO)] or [CoBr(2-methyl-pyridine -oxide)]. Its asymmetric unit consists of one Co cation as well as two bromide anions and two 2-methyl-pyridine -oxide coligands in general positions. The Co cations are tetra-hedrally coordinated by two bromide anions and two 2-methyl-pyridine -oxides, forming discrete complexes.

Synthesis and crystal structure of diiso-thio-cyanato-tetra-kis-(4-methyl-pyridine -oxide)cobalt(II) and diiso-thio-cyanato-tris-(4-methyl-pyridine -oxide)cobalt(II) showing two different metal coordination polyhedra.

The reaction of Co(NCS) with 4-methyl-pyridine -oxide (CHNO) leads to the formation of two compounds, namely, tetra-kis-(4-methyl-pyridine -oxide-κ)bis-(thio-cyanato-κ)cobalt(II), [Co(NCS)(CHNO)] (), and tris-(4-methyl-pyridine -oxide-κ)bis-(thio-cyanato-κ)cobalt(II), [Co(NCS)(CHNO)] (). The asymmetric unit of consists of one Co cation located on a centre of inversion, as well as one thio-cyanate anion and two 4-methyl-pyridine -oxide coligands in general positions. The Co cations are octa-hedrally coordinated by two terminal -bonding thio-cyanate anions in positions and four 4-methyl-pyridine -oxide ligands.

Synthesis, crystal structure and properties of chlorido-tetra-kis-(pyridine-3-carbo-nitrile)-thio-cyanato-iron(II).

Reaction of FeCl·4HO with KSCN and 3-cyano-pyridine (pyridine-3-carbo-nitrile) in ethanol accidentally leads to the formation of single crystals of Fe(NCS)(Cl)(3-cyano-pyridine) or [FeCl(NCS)(CHN)]. The asymmetric unit of this compound consists of one Fe cation, one chloride and one thio-cyanate anion that are located on a fourfold rotation axis as well as of one 3-cyano-pyridine coligand in a general position. The Fe cations are sixfold coordinated by one chloride anion and one terminally N-bonding thio-cyanate anion in -positions and four 3-cyano-pyridine coligands that coordinate the pyridine N atom to the Fe cations.

Synthesis, crystal structure and properties of poly[(μ-2-methyl-pyridine -oxide-κ:)bis-(μ-thio-cyanato-κ:)cobalt(II)].

The title compound, [Co(NCS)(CHNO)] or Co(NCS)(2-methyl-pyridine -oxide), was prepared by the reaction of Co(NCS) and 2-methyl-pyridine -oxide in methanol. All crystals obtained by this procedure show reticular pseudo-merohedric twinning, but after recrystallization, one crystal was found that had a minor component with only a very few overlapping reflections. The asymmetric unit consists of one Co cation, two thio-cyanate anions and one 2-methyl-pyridine -oxide coligand in general positions.

Synthesis, crystal structure and properties of tetra-kis-(pyridine-3-carbo-nitrile)-dithio-cyanatoiron(II) and of diaqua-bis-(pyridine-3-carbo-nitrile)-di-thio-cyanatoiron(II) pyridine-3-carbo-nitrile monosolvate.

The reaction of iron thio-cyanate with 3-cyano-pyridine (CHN) leads to the formation of two compounds with the composition [Fe(NCS)(CHN)] () and [Fe(NCS)(CHN)(HO)]·2CHN (). The asymmetric unit of consists of one iron cation, two thio-cyanate anions and four 3-cyano-pyridine ligands in general positions. The iron cation is octa-hedrally coordinated by two N-bonded thio-cyanate anions and four 3-cyano-pyridine ligands.

Synthesis, crystal structure and reactivity of bis-(μ-2-methyl-pyridine -oxide-κ:)bis-[di-bromido-(2-methyl-pyridine -oxide-κ)cobalt(II)] butanol monosolvate.

Reaction of CoBr with 2-methyl-pyridine -oxide in -butanol leads to the formation of the title compound, [CoBr](2-methyl-pyridine -oxide)·-butanol or [CoBr(CHNO)]·CHO. The asymmetric unit of the title compound consists of one Co cation as well as two bromide anions and two 2-methyl-pyridine -oxide coligands in general positions and one -butanol mol-ecule that is disordered around a center of inversion. The Co cations are fivefold coordinated by two bromide anions and one terminal as well as two bridging 2-methyl-pyridine -oxide and linked by two symmetry-related μ-1,1(,) 2-methyl-pyridine -oxide coligands into dinuclear units that are located on centers of inversion.

Synthesis, crystal structure and thermal properties of poly[[μ-1,2-bis-(pyridin-4-yl)ethene-κ:'-μ-bromido-copper(I)] 1,2-bis-(pyridin-4-yl)ethene 0.25-solvate].

The reaction of copper(I) bromide with 1,2-bis-(pyridin-4-yl)ethene in aceto-nitrile leads to the formation of the title compound, {[CuBr(CHN)]·0.25CHN} or CuBr(4-bpe)·0.25(4-bpe) [4-bpe = 1,2-bis-(pyridin-4-yl)ethene].

Synthesis and crystal structure of -poly[cobalt(II)-di-μ-chlorido-μ-pyridazine-κ:].

The reaction of cobalt dichloride hexa-hydrate with pyridazine leads to the formation of crystals of the title compound, [CoCl(CHN)]. This compound is isotypic to a number of compounds with other divalent metal ions. Its asymmetric unit consists of a Co atom (site symmetry 2/), a chloride ion (site symmetry ) and a pyridazine mol-ecule (all atoms with site symmetry ).

Synthesis, crystal structure and thermal behavior of tetra-kis-(3-cyano-pyridine -oxide-κ)bis-(thio-cyanato-κ)cobalt(II), which shows strong pseudo-symmetry.

The title compound, [Co(SCN)(CHNO)], was prepared by the reaction of cobalt(II)thio-cyanate with 3-cyano-pyridine -oxide in ethanol. In the crystal, the cobalt(II) cations are octa-hedrally coordinated by two terminal N-bonded thio-cyanate anions and four O-bonded 3-cyano-pyridine -oxide coligands, forming discrete complexes that are located on centers of inversion, hence forming -CoNO octa-hedra. The structure refinement was performed in the monoclinic space group 2/, for which a potential lattice translation and new symmetry elements with a fit of 100% is suggested.

Syntheses, crystal structures and thermal properties of -poly[cadmium(II)-di-μ-bromido-μ-pyridazine-κ : ] and -poly[cadmium(II)-di-μ-iodido-μ-pyridazine-κ : ].

The reactions of cadmium bromide and cadmium iodide with pyridazine (CHN) in ethanol under solvothermal conditions led to the formation of crystals of [CdBr(pyridazine)] () and [CdI(pyridazine)] (), which were characterized by single-crystal X-ray diffraction. The asymmetric units of both compounds consist of a cadmium cation located on the inter-section point of a twofold screw axis and a mirror plane (2/), a halide anion that is located on a mirror plane and a pyridazine ligand, with all atoms occupying Wyckoff position 4 (2). These compounds are isotypic and consist of cadmium cations that are octa-hedrally coordinated by four halide anions and two pyridazine ligands and are linked into [100] chains by pairs of μ-1,1-bridging halide anions and bridging pyridazine ligands.

Syntheses and crystal structures of bis-(4-methyl-pyridine-κ)bis-(seleno-cyanato-κ)zinc(II) and -poly[[bis-(4-methyl-pyridine-κ)cadmium(II)]-di-μ-seleno-cyanato-κ :;κ :].

The reactions of Zn(NO) 6HO and Cd(NO) 4HO with KSeCN and 4-meth-yl-pyridine (CHN; 4-picoline) lead to the formation of crystals of bis-(4-methyl-pyridine-κ)bis-(seleno-cyanato-κ)zinc(II), [Cd(NCSe)(CHN)] (), and -poly[[bis-(4-methyl-pyridine-κ)cadmium(II)]-di-μ-seleno-cyanato-κ :;κ :], [Cd(NCSe)(CHN)] (), suitable for single-crystal X-ray diffraction. The asymmetric unit of compound consists of one Zn cation that is located on a twofold rotation axis as well as one seleno-cyanate anion and one 4-methyl-pyridine ligand in general positions. The Zn cations are tetra-hedrally coordinated by two terminal N-bonding thio-cyanate anions and two 4-methyl-pyridine ligands, forming discrete complexes.

Synthesis, crystal structure and thermal properties of di-μ-iodido-bis-[bis-(2-chloro-pyrazine-κ)copper(I)].

Reaction of copper(I) iodide in pure 2-chloro-pyrazine leads to the formation of a few crystals of the title compound, [CuI(CHClN)] or (CuI)(2-chloro-pyrazine), which was characterized by single-crystal X-ray diffraction. In its crystal structure, the Cu cations are each tetra-hedrally coordinated by two iodide anions and two 2-chloro-pyrazine ligands and are linked into binuclear complexes consisting of (CuI) rings located on centers of inversion. PXRD investigations of a few crystals obtained from the suspension indicate that the title compound is contaminated with a small amount of the 2-chloro-pyrazine-deficient compound CuI(2-chloro-pyrazine) already reported in the literature.

Synthesis, crystal structure and properties of bis-(iso-seleno-cyanato-κ)tetra-kis-(4-meth-oxy-pyridine-κ)cobalt(II).

Reaction of CoCl·6HO with KNCSe and 4-meth-oxy-pyridine in water led to the formation of the title compound, [Co(NCSe)(CHNO)] or Co(NCSe)(4-meth-oxy-pyridine), which was characterized by single-crystal X-ray diffraction. Its asymmetric unit consists of one crystallographically independent Co cation, two seleno-cyanate anions and four 4-meth-oxy-pyridine coligands in general positions. In the crystal structure, the cobalt cations are sixfold coordinated by two terminal N-bonded seleno-cyanate anions and four 4-meth-oxy-pyridine coligands within a slightly distorted octa-hedral coordination.

Synthesis, crystal structure and thermal properties of tetra-kis-(3-methyl-pyridine-κ)bis-(thio-cyanato-κ)nickel(II).

Reaction of Ni(NCS) with 3-methyl-pyridine in water leads to the formation of crystals of the title compound, [Ni(NCS)(CHN)]. All of them are of poor quality and non-merohedrally twinned but a refinement using data in HKLF-5 format leads to a reasonable structure model and reliability factors. The crystal structure of the title compound consists of discrete complexes, in which the nickel cations are sixfold coordinated by two terminal N-bonded thio-cyanate anions and four 3-methyl-pyridine ligands within slightly distorted octa-hedra.

Synthesis, crystal structure and thermal properties of bis-(aceto-nitrile-κ)bis-(3-bromo-pyridine-κ)bis-(thio-cyanato-κ)cobalt(II).

Single crystals of the title compound, [Co(NCS)(CHBrN)(CHN)], were obtained by the reaction of Co(NCS) with 3-bromo-pyridine in aceto-nitrile. The Co cations lie on crystallographic inversion centers and are coordinated by two N-bonded thio-cyanate anions, two 3-bromo-pyridine and two aceto-nitrile ligands thereby forming slightly distorted CoN octa-hedra. In the crystal, these complexes are linked by C-H⋯S and C-H⋯N hydrogen bonds into a three-dimensional network.

Synthesis, crystal structure and properties of -poly[[[bis-(3-methyl-pyridine-κ)nickel(II)]-di-μ-1,3-thio-cyanato] aceto-nitrile monosolvate].

In the crystal structure of the title compound, {[Ni(NCS)(CHN)]·CHCN} , the Ni cation is octa-hedrally coordinated by two N-bonding and two S-bonding thio-cyanate anions, as well as two 3-methyl-pyridine coligands, with the thio-cyanate S atoms and the 3-methyl-pyridine N atoms in -positions. The metal cations are linked by pairs of thio-cyanate anions into chains that, because of the -- coordination, are corrugated. These chains are arranged in such a way that channels are formed in which disordered aceto-nitrile solvate mol-ecules are located.

Syntheses and crystal structures of the ethanol, acetonitrile and diethyl ether Werner clathrates bis-(iso-thio-cyanato-κ)tetra-kis-(3-methyl-pyridine-κ)nickel(II).

The reaction of nickel(II)thio-cyanate with 3-methyl-pyridine (3-picoline; CHN) in different solvents leads to the formation of crystals of bis-(iso-thio-cyanato-κ)tetra-kis-(3-methyl-pyridine-κ)nickel(II) as the ethanol disolvate, [Ni(NCS)(CHN)]·2CHOH (), the acetonitrile disolvate, [Ni(NCS)(CHN)]·2CHCN (), and the diethyl ether monosolvate, [Ni(NCS)(CHN)]·CHO (). The crystal structures of these compounds consist of Ni cations coordinated by two N-bonded thio-cyanate anions and four 3-methyl-pyridine ligands to generate NiN octa-hedra with the thio-cyanate groups in a orientation. In compounds and these complexes are located on centers of inversion, whereas in compound , they occupy general positions.

Co(NCS) Chain Compound with Alternating 5- and 6-Fold Coordination: Influence of Metal Coordination on the Magnetic Properties.

The reaction of Co(NCS) with 3-bromopyridine leads to the formation of discrete complexes [Co(NCS)(3-bromopyridine)] (), [Co(NCS)(3-bromopyridine)(HO)] (), and [Co(NCS)(3-bromopyridine)(MeOH)] () depending on the solvent. Thermogravimetric measurements on and show a transformation into [Co(NCS)(3-bromopyridine)] (), which upon further heating is converted to [{Co(NCS)}(3-bromopyridine)] (), whereas transforms directly into upon heating. Compound can also be obtained from solution, which is not possible for .

Crystal structures of two Co(NCS) urotropine coordination compounds with different Co coordinations.

The reaction of Co(NCS) with urotropine in ethanol leads to the formation of two different compounds, namely, bis-(ethanol-κ)bis-(hexa-methyl-ene-tetra-mine-κ)bis-(thio-cyanato-κ)cobalt(II)-di-aqua-κ -bis-(hexa-methyl-ene-tetra-mine-κ)bis-(thio-cyanato-κ)cobalt(II)-ethanol-hexa-methyl-ene-tetra-mine (1.2/0.8/1.

Synthesis, crystal structure and thermal properties of bis-(1,3-di-cyclo-hexyl-thio-urea-κ)bis(iso-thiocyanato-κ)cobalt(II).

Crystals of the title compound, [Co(NCS)(CHNS)], were obtained by the reaction of Co(NCS) with 1,3-di-cyclo-hexyl-thio-urea in ethanol. Its crystal structure consists of discrete complexes that are located on twofold rotation axes, in which the Co cations are tetra-hedrally coordinated by two terminal N-bonded thio-cyanate anions and two 1,3-di-cyclo-hexyl-thio-urea ligands. These complexes are linked inter-molecular N-H⋯S and C-H⋯S hydrogen bonding into chains, which elongate in the axis direction.