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 .

Syntheses, crystal structures and properties of tetra-kis-(3-methyl-pyridine-κ)bis-(iso-thio-cyanato-κ)manganese(II) and tetra-kis-(3-methyl-pyridine-κ)bis-(iso-thio-cyanato-κ)iron(II).

The reaction of Mn(NCS) or Fe(NCS) with 3-methyl-pyridine (CHN) leads to the formation of two isostructural compounds with compositions [Mn(NCS)(CHN)] () and [Fe(NCS)(CHN)] (). IR spectroscopic investigations indicate that only terminally coordinated thio-cyanate anions are present. This is confirmed by single-crystal structure analysis, which shows that their crystal structures consist of discrete centrosymmetric complexes, in which the metal cations are octa-hedrally coordinated by two N-bonded thio-cyanate anions and four 3-methyl-pyridine ligands.

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.

Crystal structure of di-ethano-lbis(thio-cyanato)-bis(urotropine)cobalt(II) and tetra-ethano-lbis(thio-cyanato)-cobalt(II)-urotropine (1/2).

The reaction of one equivalent Co(NCS) with four equivalents of urotropine (hexa-methyl-ene-tetra-mine) in ethanol leads to the formation of two compounds, namely, bis-(ethanol-κ)bis-(thio-cyanato-κ)bis-(urotropine-κ)cobalt(II), [Co(NCS)(CHN)(CHO)] (), and tetra-kis-(ethanol-κ)bis-(thio-cyanato-κ)cobalt(II)-urotropine (1/2), [Co(NCS)(CHO)]·2CHN (). In , the Co cations are located on centers of inversion and are sixfold coordinated by two terminal N-bonded thio-cyanate anions, two ethanol and two urotropine ligands whereas in the cobalt cations occupy position Wyckoff position and are sixfold coordinated by two anionic ligands and four ethanol ligands. Compound contains two additional urotropine solvate mol-ecules per formula unit, which are hydrogen bonded to the complexes.

Comparison of the crystal structures of the low- and high-temperature forms of bis-[4-(di-methyl-amino)-pyridine]-dithio-cyanato-cobalt(II).

Single crystals of the high-temperature form I of [Co(NCS)(DMAP)] (DMAP = 4-di-methyl-amino-pyridine, CHN) were obtained accidentally by the reaction of Co(NCS) with DMAP at slightly elevated temperatures under kinetic control. This modification crystallizes in the monoclinic space group 2/ and is isotypic with the corresponding Zn compound. The asymmetric unit consists of one crystallographically independent Co cation and two crystallographically independent thio-cyanate anions that are located on a crystallographic mirror plane and one DMAP ligand (general position).

Synthesis and crystal structure of di-aqua-bis-(hexa-methyl-enetramine-κ)bis-(thio-cyanato-κ)cobalt(II)-hexa-methyl-ene-tetra-mine-aceto-nitrile (1/2/2).

The crystal structure of the title solvated coordination compound, [Co(NCS)(CHN)(HO)]·2CHN·2CHN, consists of discrete complexes in which the Co cations (site symmetry ) are sixfold coordinated by two N-bonded thio-cyanate anions, two water mol-ecules and two hexa-methyl-ene-tetra-mine (HMT) mol-ecules to generate distorted -CoNO octa-hedra. The discrete complexes are each connected by two HMT solvate mol-ecules into chains strong O-H⋯N hydrogen bonds. These chains are further linked by additional O-H⋯N and C-H⋯N and C-H⋯S hydrogen bonds into a three-dimensional network.

Synthesis, crystal structure and thermal properties of poly[bis-[μ-3-(amino-meth-yl)pyridine-κ :']bis(thio-cyanato-κ)manganese(II)].

The reaction of Mn(NCS) with a stoichiometric amount of 3-(amino-meth-yl)pyridine in ethanol led to the formation of the title compound, [Mn(NCS)(CHN)] , which is isotypic to its Zn, Co and Cd analogues. The manganese cation is located on a centre of inversion and is octa-hedrally coordinated in an all- configuration by two terminal N-bonded thio-cyanate anions as well as four 3-(amino-meth-yl)pyridine co-ligands, of which two coordinate with the pyridine N atom and two with the amino N atom. The 3-(amino-meth-yl)pyridine co-ligands connect the Mn cations into layers extending parallel to (10).

Synthesis, crystal structure and thermal properties of poly[bis-[μ-3-(amino-meth-yl)pyridine]-bis-(thio-cyanato)-cobalt(II)].

The reaction of Co(NCS) with 3-(amino-meth-yl)pyridine as coligand leads to the formation of crystals of the title compound, [Co(NCS)(CHN)] , that were characterized by single-crystal X-ray analysis. In the crystal structure, the Co cations are octa-hedrally coordinated by two terminal N-bonded thio-cyanate anions as well as two pyridine and two amino N atoms of four symmetry-equivalent 3-(amino-meth-yl)pyridine coligands with all pairs of equivalent atoms in a position. The Co cations are linked by the 3-(amino-meth-yl)pyridine coligands into layers parallel to the plane.

Design and Precursor-based Solid-State Synthesis of Mixed-Linker Zr-MIL-140A.

Acetic acid, an alternative green solvent, was utilized for the solvothermal synthesis of four 2D materials of composition [ZrO(OAc)(BDC-F)], [ZrO(OAc)(BDC-F)], [ZrO(OAc)(BDC)], and [ZrO(OAc)(NDC)] (BDC, terephthalate; BDC-F, 2-fluoroterephthalate; BDC-F, tetrafluoroterephthalate; NDC, 2,6-naphthalenedicarboxylate). The first three compounds were subsequently reacted with terephthalic acid in solid-state reactions to form porous MIL-140A-type metal-organic frameworks and mixed-linker derivatives ([ZrO(BDC)(BDC-Y)], = 0-0.18, Y = F, F).