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Tris(phenanthroline-κN,N')cobalt(II) tetra-fluoridoborate acetonitrile solvate.

ABSTRACT: In the crystal structure of the title compound, [Co(C(12)H(8)N(2))(3)](BF(4))(2)·CH(3)CN, the mol-ecular packing involves dimers of distorted octahedrally coordinated cations which are held together by one π-π [centroid-centroid = 3.542 (4) Å] and two C-H⋯π inter-actions [2.573 (4) Å] resulting in a P4AE (Parallel Fourfold Aryl Embrace) motif. The anions are found in aryl boxes formed from the phenanthroline ligands.

SUBMITTER: Harding DJ

PROVIDER: S-EPMC2959989 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Acetonitrile-bis-(2-methyl-1,10-phenanthroline)copper(II) tetra-fluoridoborate.

Project description:In the title compound, [Cu(CH(3)CN)(C(13)H(10)N(2))(2)](BF(4))(2), the fivefold-coordinate Cu(II) atom is located on a twofold rotation axis, imposing twofold symmetry to the complete cation. The structure exhibits disorder of the anion, which was successfully refined using a two-site model with 0.810?(3):0.190?(3) occupancy. The methyl group of the acetonitrile ligand is likewise disordered, here about the twofold rotation axis in a 1:1 ratio.

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Project description:The title compound, [Co(C(10)H(8)N(2))(3)]Cl(3)·4H(2)O, contains discrete [Co(bpy)(3)](3+) cations (bpy is 2,2'-bipyridine), Cl(-) anions and water mol-ecules. The [Co(bpy)(3)](3+) complex cation exhibits C(2) symmetry with the twofold axis through the central Co atom and bis-ecting one bpy ligand and one of the Cl(-) anions. The four solvent water mol-ecules and the remaining two Cl(-) anions lie on a mirror plane. Hydrogen-bond inter-actions define a two-dimensional layer structure parallel to (100), which consists of seven-membered [Cl(2)(H(2)O)(5)], eight-membered [Cl(4)(H(2)O)(4)] and ten-membered [Cl(2)(H(2)O)(8)] rings.

| S-EPMC2959986 | biostudies-literature

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.

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Tris(1,10-phenanthroline)cobalt(II) bis-(trichloro-acetate).

Project description:In the title complex, [Co(C(12)H(8)N(2))(3)](C(2)Cl(3)O(2))(2), the Co(II) ion lies on a twofold rotation axis and is coordinated by six N atoms from three bis-chelating 1,10-phenanthroline ligands in a distorted octa-hedral environment. The crystal structure is stabilized by weak inter-molecular C-H⋯O hydrogen bonds.

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Project description:The complex cation of the title compound, [Co(C12H8N2)3]2(NO3)4·C12H12N2O6·8H2O, contains a Co(II) atom with a distorted octa-hedral coordination environment defined by six N atoms from three bidentate 1,10-phenanthroline ligands. The asymmetric unit of the title compound is completed by one-half of the N,N'-(1,4-phenyl-enedicarbon-yl)diglycine solvent mol-ecule, which is located on a centre of inversion, by two nitrate counter-anions and four solvent water mol-ecules. Two [Co(C12H8N2)3](2+) cations are connected through C-H⋯O contacts and through lone-pair⋯π inter-actions involving the non-coordinating N,N'-(1,4-phenyl-enedicarbon-yl)diglycine and phenanthroline mol-ecules. The different aromatic ring systems are involved in π-π stacking and C-H⋯π inter-actions, with centroid-to-centroid distances in the range 3.7094 (8)-3.9973 (9) Å. The crystal structure is stabilized by further anion⋯π inter-actions and C-H⋯O contacts, as well as O-H⋯O and N-H⋯O hydrogen bonds between water mol-ecules, the non-coordinating nitrate anions, N,N'-(1,4-phenyl-enedicarbon-yl)diglycine and phenanthroline mol-ecules. These non-covalent inter-actions give rise to a three-dimensional supra-molecular network.

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Tris(1,10-phenanthroline)nickel(II) dichromate tetra-hydrate.

Project description:The asymmetric unit of the title compound, [Ni(C(12)H(8)N(2))(3)][Cr(2)O(7)]·4H(2)O, contains one cation, one anion and four water mol-ecules, three of which are disordered over two sites with equal occupancies. In the cation, the metal centre is coordinated by six N atoms from three 1,10-phenanthroline ligands in a distorted octa-hedral geometry. The [Cr(2)O(7)](2-) anion exhibits a staggered conformation. The crystal packing is stabilized by inter-molecular O-H?O hydrogen bonds and ?-? inter-actions, evidenced by short distances of 3.531?(5)?Å between the centroids of aromatic rings.

| S-EPMC2979795 | biostudies-literature

cis-Bis(acetonitrile-?N)bis-(2,2'-bipyridine-?N,N')ruthenium(II) tetra-fluoridoborate.

Project description:In the cation of the title compound, [Ru(CH(3)CN)(2)(C(10)H(8)N(2))(2)](BF(4))(2), the Ru(II) atom is six-coordinated in a distorted octa-hedral geometry by the N atoms of the two 2,2'-bipyridine (bpy) ligands and two cis-arranged acetonitrile mol-ecules. The dihedral angles formed by the pyridine rings of the bpy ligands are 8.86?(12) and 10.12?(14)°. In the crystal, the cations and anions are linked by C-H?F hydrogen bonds into a three-dimensional network.

| S-EPMC3254331 | biostudies-literature

Tris(ethane-1,2-diamine-κN,N')cobalt(III) carbonate iodide tetra-hydrate.

Project description:The title compound, [Co(C(2)H(8)N(2))(3)](CO(3))I·4H(2)O, crystallizes with a [Co(en)(3)](3+) cation (en is ethane-1,2-diamine), CO(3) (2-) and I(-) anions and four water mol-ecules in the asymmetric unit. In the cation, the three rings formed by the ethyl-enediamine units and the Co(III) metal ion are in slightly distorted twist conformations. Numerous O-H⋯O, N-H⋯O, N-H⋯I and O-H⋯I inter-molecular hydrogen bonds between the cation and two anions in concert with the four water mol-ecules dominate the crystal packing and create a supra-molecular infinite three-dimensional framework.

| S-EPMC3007973 | biostudies-literature

Tris(ethylenediamine)cobalt(II) bis(tetra-hydroxypentaborate) dihydrate.

Project description:The novel pentaborate with a transition-metal complex as counter-cation and with water of crystallization, tris(ethylenediamine)cobalt(II) bis[4,4',6,6'-tetrahydroxy-2,2'-spirobi(cyclotriboroxane)(1-)] dihydrate, [Co(C(2)H(8)N(2))(3)][B(5)O(6)(OH)(4)](2)·2H(2)O, forms a three-dimensional supra-molecular framework through O-H?O hydrogen bonding among the [B(5)O(6)(OH)(4)](-) anions with large channels along the a axis in which the templating [Co(en)(3)](2+) cations (en = ethylenediamine) and water mol-ecules are located. The crystal packing is consolidated by additional O-H?O and N-H?O hydrogen bonds.

| S-EPMC2968773 | biostudies-literature

Tris(1,10-phenanthroline-?N,N')nickel(II) dinitrate tetra-hydrate.

Project description:In the title complex, [Ni(C(12)H(8)N(2))(3)](NO(3))(2)·4H(2)O, the Ni(II) ion is octa-hedrally coordinated by three bidentate 1,10-phenanthroline ligands, each forming a five-membered chelate ring. In the crystal, O-H?O and C-H?O hydrogen bonds are present between the complex cations, nitrate anions and water mol-ecules. O-H?O hydrogen bonds between the uncoord-inated water mol-ecules lead to the formation of a four-membered ring water cluster, with a planar configuration. There were an additional five grossly disordered water mol-ecules in the asymmetric unit, which were removed by the subroutine SQUEEZE; these were were excluded in the calculation of the molecular weight, etc. ?-? stacking inter-actions between the aromatic rings are also observed [centroid-centroid distances = 3.697?(2), 3.728?(2) and 3.761?(2)?Å].

| S-EPMC3238704 | biostudies-literature

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