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Tris[4-(dimethyl-amino)-pyridinium] hexa-kis-(thio-cyanato-?N)ferrate(III) monohydrate.

ABSTRACT: In the title compound, (C7H11N2)3[Fe(NCS)6]·H2O, the Fe(III) cation is coordinated by six terminal N-bonded thio-cyanate anions into a discrete threefold negatively charged complex. Charge balance is achieved by three protonated 4-(dimethyl-amino)-pyridine cations. The asymmetric unit consists of one Fe(III) cation, six thio-cyanate anions, three 4-(dimethyl-amino)-pyridinium cations and one water mol-ecule, all of them located in general positions.

SUBMITTER: Wohlert S

PROVIDER: S-EPMC3588242 | biostudies-literature | 2013 Jan

REPOSITORIES: biostudies-literature

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Tris[4-(dimethyl-amino)-pyridinium] hexa-kis-(thio-cyanato-κN)ferrate(III) monohydrate.

Wöhlert Susanne S Jess Inke I Näther Christian C

Acta crystallographica. Section E, Structure reports online 20121208 Pt 1

In the title compound, (C7H11N2)3[Fe(NCS)6]·H2O, the Fe(III) cation is coordinated by six terminal N-bonded thio-cyanate anions into a discrete threefold negatively charged complex. Charge balance is achieved by three protonated 4-(dimethyl-amino)-pyridine cations. The asymmetric unit consists of one Fe(III) cation, six thio-cyanate anions, three 4-(dimethyl-amino)-pyridinium cations and one water mol-ecule, all of them located in general positions. ...[more]

PMID: 23476331

Similar Datasets

Pyridinium bis-(pyridine-κN)tetra-kis-(thio-cyanato-κN)ferrate(III).

Project description:In the title compound, (C5H6N)[Fe(NCS)4(C5H5N)2], the Fe(III) ion is coordinated by four thio-cyanate N atoms and two pyridine N atoms in a trans arrangement, forming an FeN6 polyhedron with a slightly distorted octa-hedral geometry. Charge balance is achieved by one pyridinium cation bound to the complex anion via N-H⋯S hydrogen bonding. The asymmetric unit consists of one Fe(III) cation, four thio-cyanate anions, two coordinated pyridine mol-ecules and one pyridinium cation. The structure exhibits π-π inter-actions between pyridine rings [centroid-centroid distances = 3.7267 (2), 3.7811 (2) and 3.8924 (2) Å]. The N atom and a neighboring C atom of the pyridinium cation are statistically disordered with an occupancy ratio of 0.58 (2):0.42 (2).

| S-EPMC3684869 | biostudies-literature

Crystal structure of octa-kis-(4-meth-oxy-pyridinium) bis-(4-meth-oxy-pyridine-?N)tetra-kis-(thio-cyanato-?N)ferrate(III) bis-[(4-meth-oxypyri-dine-?N)pentakis-(thio-cyanato-?N)ferrate(III)] hexa-kis-(thio-cyanato-?N)ferrate(III) with iron in three different octa-hedral coordination environments.

Project description:The crystal structure of the title salt, (C6H8NO)8[Fe(NCS)4(C6H7NO)2][Fe(NCS)5(C6H7NO)]2[Fe(NCS)6], comprises three negatively charged octa-hedral FeIII complexes with different coordination environments in which the FeIII atoms are coordinated by a different number of thio-cyanate anions and 4-meth-oxy-pyridine ligands. Charge balance is achieved by 4-meth-oxy-pyridinium cations. The asymmetric unit consists of three FeIII cations, one of which is located on a centre of inversion, one on a twofold rotation axis and one in a general position, and ten thio-cyanate anions, two 4-meth-oxy-pyridine ligands and 4-meth-oxy-pyridinium cations (one of which is disordered over two sets of sites). Beside to Coulombic inter-actions between organic cations and the ferrate(III) anions, weak N-H?S hydrogen-bonding inter-actions involving the pyridinium N-H groups of the cations and the thio-cyanate S atoms of the complex anions are mainly responsible for the cohesion of the crystal structure.

| S-EPMC5947788 | biostudies-literature

Hexa-kis-(dimethyl-formamide-?O)manganese(II) (dimethyl-formamide-?O)pentakis(-thio-cyanato--?N)chromate(III).

Project description:The title compound, [Mn(C(3)H(7)NO)(6)][Cr(NCS)(5)(C(3)H(7)NO)], was obtained unintentionally as a product of an attempted synthesis of heterometallic complexes based on Reineckes anion using manganese powder, Reineckes salt and 1-(2-hy-droxy-eth-yl)tetra-zole as starting materials. The crystal structure of the complex consists of an [Mn(dmf)(6)](2+) cation and a [Cr(NCS)(5)(dmf)](2-) anion (dmf = dimethyl-formamide). The Mn(II) and Cr(III) atoms show a slightly distorted octa-hedral MnO(6) and CrN(5)O coordination geometries with adjacent angles in the range 85.29?(13)-95.96?(14)°.

| S-EPMC3379144 | biostudies-literature

Crystal structures of bis-[4-(di-methyl-amino)-pyridinium] tetra-kis-(thio-cyanato-κN)manganate(II) and tris-[4-(di-methyl-amino)-pyridinium] penta-kis(thio-cyanato-κN)manganate(II).

Project description:The crystal structures of the title salts, (C7H11N2)2[Mn(NCS)4] (1) and (C7H11N2)3[Mn(NCS)5] (2), consist of manganese(II) cations that are tetra-hedrally (1) or trigonal-bipyramidally (2) coordinated to four or five terminal N-bonded thio-cyanate ligands, respectively, into discrete anionic complexes. The negative charge is compensated by two (1) or three (2) 4-(di-methyl-amino)-pyridinium cations, which are protonated at the pyridine N atom. The asymmetric unit of compound 1 consists of one anionic complex and two 4-(di-methyl-amino)-pyridinium cations, whereas that of compound 2 consists of two anionic complexes and six 4-(di-methyl-amino)-pyridinium cations, all of them located in general positions. These complexes are linked by N-H⋯S, C-H⋯S and C-H⋯N hydrogen-bonding inter-actions between the 4-(di-methyl-amino)-pyridinium cations and the thio-cyanate ligands into three-dimensional network structures.

| S-EPMC5778477 | biostudies-literature

Hexa-kis-(dimethyl-formamide-κO)manganese(II) μ-oxido-bis-[trichlorido-ferrate(III)].

Project description:The title compound, [Mn(C(3)H(7)NO)(6)][Fe(2)Cl(6)O], was obtained unintentionally as a product of an attempted synthesis of heterometallic complexes with Schiff base ligands using manganese powder and FeCl(3)·6H(2)O as starting materials. In the [Fe(2)OCl(6)](2-) anion, the O atom and the Fe atom occupy positions with site symmetry [Formula: see text] and 3, respectively, resulting in a linear Fe-O-Fe angle and a staggered conformation. The octa-hedrally surrounded cation (site symmetry [Formula: see text]) and the [Fe(2)Cl(6)O](2-) anion are alternately stacked along [001].

| S-EPMC3246982 | biostudies-literature

Bis[N-(2-amino-eth-yl)ethane-1,2-diamine-?N,N',N'']copper(II) tris-[diamminetetra-kis-(thio-cyanato-?N)chromate(III)] thio-cyanate dimethyl sulfoxide tetra-deca-solvate monohydrate.

Project description:The ionic title complex, [Cu(C(4)H(13)N(3))(2)](2)[Cr(NCS)(4)(NH(3))(2)](3)(NCS)·14C(2)H(6)OS·H(2)O, consists of complex [Cu(dien)(2)](2+) cations [dien is N-(2-amino-eth-yl)ethane-1,2-diamine], com-plex [Cr(NCS)(4)(NH(3))(2)](-) anions, an NCS(-) counter-anion and uncoordinated dimethyl sulfoxide (DMSO) and water solvent mol-ecules. One of the Cr atoms lies on an inversion center, while the second Cr atom and the Cu atom lie in general positions. The thio-cyanate counter-anion and water mol-ecule are disordered over two positions close to an inversion center. There are several types of hydrogen-bond inter-actions present in the title compound, which connect the complex cations and anions into bulky [Cu(2)Cr(3)] polynuclear species. The four NH(3) groups of the complex anions and six bridging DMSO O atoms link the three complex anions via hydrogen bonding into the anionic polynuclear species [Cr(NCS)(4)(NH(3))(2)](3)·6DMSO. The last one is connected by four bridging DMSO O atoms with the two complex copper cations through N-H? O hydrogen bonds between the terminal NH(3) groups of the anionic polynuclear species and the NH and NH(2) groups of the dien ligand. One additional DMSO mol-ecule is connected via hydrogen bonding to one of the terminal NH(3) groups of the anionic polynuclear species. Another DMSO mol-ecule is connected via hydrogen bonding to each Cu(dien)(2)](2+) cation.

| S-EPMC3212117 | biostudies-literature

Pyridinium bis-(pyridine-?N)tetra-kis-(thio-cyanato-?N)ferrate(III)-pyrazine-2-carbo-nitrile-pyridine (1/4/1).

Project description:In the title compound, (C5H6N)[Fe(NCS)4(C5H5N)2]·4C5H3N3·C5H5N, the Fe(III) ion is located on an inversion centre and is six-coordinated by four N atoms of the thio-cyanate ligands and two pyridine N atoms in a trans arrangement, forming a slightly distorted octa-hedral geometry. A half-occupied H atom attached to a pyridinium cation forms an N-H?N hydrogen bond with a centrosymmetrically-related pyridine unit. Four pyrazine-2-carbo-nitrile mol-ecules crystallize per complex anion. In the crystal, ?-? stacking inter-actions are present [centroid-centroid distances = 3.6220?(9), 3.6930?(9), 3.5532?(9), 3.5803?(9) and 3.5458?(8)?Å].

| S-EPMC3647816 | biostudies-other

Tris(1,10-phenanthroline-?(2)N,N')iron(II) bis-[(1,10-phenanthroline-?(2)N,N')tetra-kis-(thio-cyanato-?N)chromate(III)] acetonitrile tris-olvate monohydrate.

Project description:Single crystals of the title heterometallic compound, [Fe(C(12)H(8)N(2))(3)][Cr(NCS)(4)(C(12)H(8)N(2))](2)·3CH(3)CN·H(2)O or [Fe(Cphen)(3)][Cr(NCS)(4)(phen)](2)·3CH(3)CN·H(2)O, were pre-pared using the one-pot open-air reaction of iron powder, Reineckes salt and 1,10-phenanthroline (phen) in acetonitrile. The asymetric unit consists of an [Fe(phen)(3)](2+) cation, two [Cr(phen)(NCS)(4)](-) anions, three acetonitrile solvent mol-ecules and a water mol-ecule. The Fe and Cr atoms both show a slightly distorted octa-hedral FeN(6) and CrN(6) coordination geometry with adjacent angles in the range 79.67?(12)-95.21?(12)°. No classical hydrogen bonding involving the water molecule is observed.

| S-EPMC3344293 | biostudies-literature

Bis[4-(dimethyl-amino)-pyridinium] bis-[4-(dimethyl-amino)-pyridine-?N (1)]tetra-kis-(thio-cyanato-?N)manganate(II).

Project description:In the crystal structure of the title compound, (C7H11N2)2[Mn(NCS)4(C7H10N2)2], the manganese(II) cations are coordinated by four N-bonded thio-cyanate anions and two N-bonded 4-(dimethyl-amino)-pyridine ligands into discrete complex dianions. For charge balance, two 4-(dimethylamino)pyridine counter cations are present, which do not coordinate to the metal cation. The asymmetric unit consists of one manganese(II) cation, four thio-cyanate anions and two 4-(dimethyl-amino)-pyridine ligands, as well as two protonated 4-(dimethyl-amino)-pyridinium cations. The discrete complex anions are connected to the non-coordinating pyridinium cations by weak N-H?S hydrogen-bonding inter-actions.

| S-EPMC3588772 | biostudies-literature

Tetra-kis(2-amino-6-methyl-pyridinium) hexa-chloridobismuthate(III) chloride monohydrate.

Project description:The asymmetric unit of the title compound, (C(6)H(9)N(2))(4)[BiCl(6)]Cl·H(2)O, contains four protonated 2-amino-6-methyl-pyridine (HAMP) cations and two-halves of two [BiCl(6)](3-) anions, together with one water mol-ecule and one chloride anion. The Bi(III) atoms are hexa-coordinated by Cl atoms, forming distorted octa-hedral geometries. In the crystal structure, intra-molecular O-H?Cl and N-H?Cl, and inter-molecular O-H?Cl and N-H?O inter-actions link the mol-ecules into a three-dimensional network.

| S-EPMC2977446 | biostudies-other

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