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Hexa-μ(2)-acetato-triaqua-μ(3)-oxido-triiron(III) nitrate acetic acid solvate.

ABSTRACT: The asymmetric unit of the title compound, [Fe(3)(CH(3)COO)(6)O(H(2)O)(3)]NO(3)·CH(3)COOH, consists of a hexa-μ(2)-acetato-triaqua-μ(3)-oxo-triiron(III) macrocation, a nitrate ion and an acetic acid solvent mol-ecule. In the cation, each Fe(3+) ion is coordinated by four carboxyl-ate O atoms, one central bridged O atom and one water mol-ecule, resulting in distorted FeO(6) octa-hedra. A network of O-H⋯O hydrogen bonds helps to establish the packing.

SUBMITTER: Yao S

PROVIDER: S-EPMC2961916 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Hexa-μ(2)-acetato-κO:O'-μ(3)-oxido-tris-[aqua-chromium(III)] nitrate acetic acid solvate.

Project description:In the crystal structure of the title salt, [Cr(3)(C(2)H(3)O(2))(6)O(H(2)O)(3)]NO(3)·CH(3)CO(2)H, the trinuclear [Cr(3)(CH(3)CO(2))(6)O(H(2)O)(3)] cluster cation has an oxide O atom that is connected to three water-coordinated Cr(III) atoms, the three metal atoms forming the points of an equilateral triangle. Each of the six acetate carboxyl-ate groups bridges a Cr-O-Cr fragment. The cluster cation inter-acts with the nitrate counter-ion and solvent mol-ecules through O-H⋯O hydrogen bonds, forming a three-dimensional hydrogen-bonded network.

| S-EPMC2959480 | biostudies-literature

Low-temperature redetermination of hexa-kis(μ-chloro-acetato-κO:O')-μ(3)-oxido-tris[aquachromium(III)] nitrate 3.5-hydrate.

Project description:A low-temperature redetermination of the trinuclear cluster compound described as [Cr(3)(C(2)H(2)ClO(2))(6)O(H(2)O)(3)]NO(3)·3H(2)O [Glowiak, Kubiak & Jezowska-Trzebiatowska (1977 ▶). Bull. Acad. Pol. Sci. Ser. Sci. Chim.25, 359-371] shows that the salt is a 3.5-hydrate, [Cr(3)(C(2)H(2)ClO(2))(6)O(H(2)O)(3)]NO(3)·3.5H(2)O. The trinuclear cluster cation is disordered in four of the six monochloro-acetate groups. One is disordered over two positions in respect of the chloro-methyl atoms (occupancy ratio 0.50:0.50); another is disordered over three positions in respect of the chloro-methyl atoms (occupancy ratio 0.50:0.37:0.13) whereas two are disordered over two positions in respect of the Cl atoms only (occupancy ratios 0.84:0.16 and 0.60:0.40). Of the four independent uncoordinated water mol-ecules, one has an occupancy factor of 0.5. The trinuclear cation has an oxido O atom that is connected to three water-coordinated Cr(III) atoms, the three metal atoms forming the points of an equilateral triangle. Six carboxyl-ate groups each chelate a Cr-O-Cr fragment. The cations, anions and uncoordinated water mol-ecules are linked by hydrogen bonds.

| S-EPMC2962004 | biostudies-literature

cyclo-Hexa-μ(2)-diphenyl-acetato-κO:O'-hexa-μ(3)-oxido-hexa-kis[phenyl-tin(IV)].

Project description:In the cyclo-hexa-meric centrosymmetric title compound, [Sn(6)(C(6)H(5))(6)(C(14)H(11)O(2))(6)O(6)], each bridging oxide O atom is connected to three Sn atoms and each carboxyl-ate group bridges a pair of Sn atoms so that the three independent Sn atoms all adopt SnCO(5) distorted octa-hedral geometries, resulting in a drum-shaped Sn(6)O(6) core.

| S-EPMC2960123 | biostudies-literature

Hexa-μ(2)-acetato-κO:O'-(azido-κN)bis-(methanol-κO)-μ(3)-oxido-trichromium(III) methanol monosolvate.

Project description:In the crystal structure of the title complex, [Cr(3)(CH(3)CO(2))(6)(N(3))O(CH(3)OH)(2)]·CH(3)OH, the trinuclear core has a central O atom; two methanol mol-ecules and an azide ion are coordinated to the Cr(III) atoms in the core. The three Cr(III) atoms form vertices of a nearly equilateral triangle. Each of the six acetate carboxyl-ate groups bridges a Cr-O-Cr fragment. In the crystal, the molecules inter-act with methanol solvent mol-ecules through O-H⋯O and O-H⋯N hydrogen bonds, forming a two-dimensional hydrogen-bonded network parallel to (100).

| S-EPMC3246918 | biostudies-literature

Hexa-μ-acetato-chlorido-(μ-N,2-dioxodo-benzene-1-carboximidato)-μ3-oxido-tetra-iron(III)-water (1/1) and hexa-μ-acetato-(μ-N,2-dioxodo-benzene-1-carboximidato)fluorido-μ3-oxido-tri-pyridine-tetra-iron(III)-pyridine-water (1/1/0.24).

Project description:The title compounds, [Fe4(C2H3O2)6(C7H4O3)FO(C5H5N)3]·C5H5N·0.24H2O (1-F) and [Fe4(C2H3O2)6(C7H4O3)ClO(C5H5N)3]·H2O (1-Cl) were synthesized using a self-assembly reaction in methanol and pyridine with stoichiometric addition of salicyl-hydroxamic acid (H3shi), acetic acid (HOAc), and the appropriate ferric halide salt. The compounds crystallize as solvates, where 1-F has one pyridine mol-ecule that is disordered about a twofold axis and one water mol-ecule with an occupancy of 0.24 (2); and 1-Cl has one water mol-ecule that is disordered over two sites with occupancies of 0.71 (1) and 0.29 (1). The space groups for each analog differ as 1-F crystallizes in Fdd2 while 1-Cl crystallizes in P21. The difference in packing is due to changes in the inter-molecular inter-actions involving the different halides. The two mol-ecules are mostly isostructural, differing only by the torsion of the pyrine ligands and slight orientation changes in the acetate ligands. All of the iron(III) ions are in six-coordinate octa-hedral ligand field geometries but each one exhibits a unique coordination environment with various numbers of O (four to six) and N (nought to two) atom donors. Bond-valence sums confirm each iron is trivalent. The hydroximate ligand is bound to three iron(III) ions using a fused chelate motif similar to those in metallacrown compounds.

| S-EPMC8491518 | biostudies-literature

Diaqua-?(3)-oxido-hexa-kis(?(2)-trichloro-acetato-?O:O')(trichloro-acetato-?O)trichromium(III) acetonitrile tris-olvate.

Project description:In the crystal structure of the title compound, [Cr(3)(C(2)Cl(3)O(2))(7)O(H(2)O)(2)]·3CH(3)CN, the trinuclear [Cr(3)O(H(2)O)(2)(Cl(3)CCO(2))(7)] mol-ecule has an oxide O atom that is connected to one monodentate trichloro-acetate-coordinated and two water-coordinated Cr(III) atoms, the three metal atoms forming the points of an equilateral triangle. Each of the six remaining carboxyl-ate groups bridges a Cr-O-Cr fragment. The cluster inter-acts with the three solvent mol-ecules through water-acetonitrile O-H?N hydrogen bonds. Adjacent clusters are linked by a water-carboxylate O-H?O hydrogen bond to give a helical chain. One of the CCl(3) groups was found to be disordered over two positions, with the major component having a site-occupancy factor of 0.64?(1).

| S-EPMC2960559 | biostudies-literature

Hexa-?2-acetato-hexa-n-butyl-hexa-?3-oxido-tin(IV) toluene monosolvate.

Project description:The title compound, [Sn6(C4H9)6(CH3COO)6O6]·C7H8, has one half-toluene mol-ecule and one half-organotin mol-ecule in the asymmetric unit. The latter is situated about an inversion centre and belongs to the class of hexa-meric monoorganooxo-tin carboxyl-ates with a hexa-gonal prismatic or 'drum-like' motif of the central tin-oxygen core. Two Sn3O3 rings in a flat-chair conformation are linked via six Sn-O bonds and six bridging acetate groups. All Sn atoms have approximate octa-hedral coordination geometry. The Sn-O bonds which are trans to the alkyl group are significantly shorter than the others. One butyl group is disordered over two different sites, with occupancies of 0.9:0.1. Very large atomic displacement parameters of the toluene mol-ecule indicate an unresolvable disorder about the twofold axis.

| S-EPMC3588278 | 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

Triethyl-ammonium hexa-?(2)-acetato-?O:O'-diacetato-?O-aqua-?(3)-oxido-triferrate(III) toluene monosolvate.

Project description:The title compound, (C(6)H(16)N)[Fe(3)(CH(3)CO(2))(8)O(H(2)O)]·C(7)H(8), was serendipitously crystallized from a reaction of disilanol with iron(II) acetate. The trinuclear acetatoferrate(III) anion has a triethyl-ammonium cation as the counterion. The three Fe atoms lie on the vertices of a regular triangle and are octa-hedrally coordinated. The complete coordination of the anion includes shared ligands among the three metal ions: a central tribridging O atom and six bidentate bridging acetyl groups. The six-coordinations of two of the metal ions are completed by a monodentate acetate ligand, whereas that of the third metal ion is completed by a water mol-ecule. The uncoordinated triethyl-ammonium cation is involved in N-H?O hydrogen bonding to a singly coordinated acetyl group. The coordinated aqua mol-ecule is involved in bifurcated O-H?O hydrogen bonding. C-H?O inter-actions are also observed. The toluene solvent molecule is disordered over two sets of sites in a 0.609?(11):0.391?(11) ratio.

| S-EPMC3212166 | biostudies-literature

μ-Oxido-bis-{chlorido[tris-(2-pyridylmethyl)amine]manganese(III)} bis-(hexa-fluorido-phosphate).

Project description:In the title compound, [Mn(2)O(C(18)H(18)ClN(4))(2)](PF(6))(2), the Mn atom is chelated by a tetra-dentate ligand via four N atoms, and further bonded to one chloride ion and one bridging oxide, to give a centrosymmetric cation and distorted octa-hedral coordination geometry.

| S-EPMC2915134 | biostudies-literature

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