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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.

ABSTRACT: 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.

SUBMITTER: Jochim A

PROVIDER: S-EPMC5947788 | biostudies-literature |

REPOSITORIES: biostudies-literature

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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

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Project description: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.

| S-EPMC3588242 | biostudies-literature

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| S-EPMC3152115 | biostudies-literature

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

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| S-EPMC3379144 | biostudies-literature

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Project description:In the title complex, [Zn(NCS)(2)(C(13)H(10)N(2)O)], the Zn(II) ion is in a distorted tetra-hdral ZnN(2)Cl(2) coordination environment. In the crystal structure, there is a weak ?-? stacking inter-action between adjacent 1,10-phenanthroline rings, with a pyridine centroid-centroid distance of 3.6620?(15)?Å.

| S-EPMC2961423 | biostudies-literature

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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

Bis(2-meth-oxy-6-{[2-(methyl-ammonio)eth-yl]imino-meth-yl}phenolato)thio-cyanato-zinc(II) thio-cyanate hemihydrate.

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Crystal structures of tetra-kis-(pyridine-4-thio-amide-κN)bis-(thio-cyanato-κN)cobalt(II) monohydrate and bis-(pyridine-4-thio-amide-κN)bis-(thio-cyanato-κN)zinc(II).

Project description:Reaction of Co(NCS)2 and Zn(NCS)2 with 4-pyridine-thio-amide led to the formation of compounds with composition [Co(NCS)2(C6H6N2S)4]·H2O (1) and [Zn(NCS)2(C6H6N2S)2] (2), respectively. The asymmetric unit of compound 1, consists of one cobalt(II) cation, two thio-cyanate anions, four 4-pyridine-thio-amide ligands and one water mol-ecule whereas that of compound 2 comprises one zinc(II) cation that is located on a twofold rotation axis as well as one thio-cyanate anion and one 4-pyridine-thio-amide ligand in general positions. In the structure of compound 1, the cobalt(II) cations are octa-hedrally coordinated by two terminal N-bonding thio-cyanate anions and by the N atoms of four 4-pyridine-thio-amide ligands, resulting in discrete and slightly distorted octa-hedral complexes. These complexes are linked into a three-dimensional network via inter-molecular N-H⋯S hydrogen bonding between the amino H atoms and the thio-cyanate S atoms. From this arrangement, channels are formed in which the water mol-ecules are embedded and linked to the host structure by inter-molecular O-H⋯S and N-H⋯O hydrogen bonding. In the structure of compound 2, the zinc(II) cations are tetra-hedrally coordinated by two N-bonding thio-cyanate anions and the N atoms of two 4-pyridine-thio-amide ligands into discrete complexes. These complexes are likewise connected into a three-dimensional network by inter-molecular N-H⋯S hydrogen bonding between the amino H atoms and the thio-amide S atoms.

| S-EPMC5956324 | biostudies-literature

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

Tris[2-meth-oxy-6-(4-methyl-phenyl-iminio-meth-yl)phenolato-?O,O']tris-(thio-cyanato-?N)neodymium(III).

Project description:In the title compound, [Nd(NCS)(3)(C(15)H(15)NO(2))(3)], the Nd(III) ion is coordinated by three thio-cyanate anions [Nd-N = 2.489?(8)-2.530?(7)?Å] and six O atoms [Nd-O = 2.375?(4)-2.843?(5)?Å] from three zwitterionic 2-meth-oxy-6-(4-methyl-phenyl-iminiometh-yl)phenolate ligands in a tricapped trigonal-prismatic geometry. Intra-molecular N-H?O hydrogen bonds occur. The crystal packing exhibits weak inter-molecular C-H?S hydrogen bonds, ?-? inter-actions with a distance of 3.904?(7)?Å between the centroids of the aromatic rings, and voids of 101?Å(3).

| S-EPMC2980016 | biostudies-literature

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