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Di-?-hydroxido-bis[tris(1,1,1,5,5,5-hexa-fluoro-acetyl-acetonato-?O,O')hafnium(IV)] acetone solvate.

ABSTRACT: The binuclear title compound, [Hf(2)(C(5)HF(6)O(2))(6)(OH)(2)]·C(3)H(6)O, contains an Hf(IV) atom which is eight coordinated and surrounded by three chelating ?-diketonato 1,1,1,5,5,5-hexa-fluoro-acetyl-acetonate (hfaa) ligands and two bridging OH groups situated on a twofold rotation axis. The HfO(8) coordination polyhedron shows a slightly distorted Archimedean square anti-prismatic coordination with average Hf-O, C-O, C-C(Me) distances of 2.19?(2), 1.26?(2) and 1.49?(2)?Å, respectively, and an O-Hf-O bite angle of 75.3?(5)°. Weak O-H?O hydrogen bonding inter-actions are observed between one of the bridging hydr-oxy groups and the disordered solvent mol-ecule.

SUBMITTER: Viljoen JA

PROVIDER: S-EPMC2971352 | biostudies-literature | 2009 Oct

REPOSITORIES: biostudies-literature

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Di-μ-hydroxido-bis[tris(1,1,1,5,5,5-hexa-fluoro-acetyl-acetonato-κO,O')hafnium(IV)] acetone solvate.

Viljoen J Augustinus JA Visser Hendrik G HG Roodt Andreas A Steyn Maryke M

Acta crystallographica. Section E, Structure reports online 20091017 Pt 11

The binuclear title compound, [Hf(2)(C(5)HF(6)O(2))(6)(OH)(2)]·C(3)H(6)O, contains an Hf(IV) atom which is eight coordinated and surrounded by three chelating β-diketonato 1,1,1,5,5,5-hexa-fluoro-acetyl-acetonate (hfaa) ligands and two bridging OH groups situated on a twofold rotation axis. The HfO(8) coordination polyhedron shows a slightly distorted Archimedean square anti-prismatic coordination with average Hf-O, C-O, C-C(Me) distances of 2.19 (2), 1.26 (2) and 1.49 (2) Å, respectively, and a ...[more]

PMID: 21578120

Similar Datasets

Crystal structure of tetra-kis-(1,1,1,5,5,5-hexa-fluoro-acetyl-acetonato)hafnium(IV).

Project description:The crystal structure of the title compound, [Hf(C5HF6O2)4], has been determined. The asymmetric unit contains two Hf(hfac)4 mol-ecules (hfac = 1,1,1,5,5,5-hexa-fluoro-acetyl-acetonate); both are located on general positions and have identical structures apart from the disorder involving three CF3 groups in one of the two mol-ecules. The mol-ecules of Hf(hfac)4 are arranged in layers that are parallel to the ab plane, and the coordination geometry of each hafnium(IV) center is a distorted square anti-prism. An inter-esting aspect of the structure is that the hfac ligands are arranged so that the Hf(hfac)4 mol-ecules have idealized 2 point symmetry, in which two of the hfac groups bridge between the two squares. Although all other M(β-diketonate)4 compounds of Hf (and Zr) also have square-anti-prismatic geometries; in almost all of them the ligands are arranged so that the mol-ecules have 222 point symmetry (in which none of the hfac ligands bridges between the two squares). The factors that favor one structure over another are not clear.

| S-EPMC6072989 | biostudies-literature

Di-?-hydroxido-bis-[tris-(4,4,4-trifluoro-1-phenyl-acetyl-acetonato-?O,O')hafnium(IV)] dimethyl-formamide disolvate.

Project description:The binuclear molecule of the title compound, [Hf(2)(C(10)H(6)F(3)O(2))(6)(OH)(2)]·2C(3)H(7)NO, lies across an inversion centre and contains a Hf(IV) atom which is eight-coordinated and surrounded by three chelating ?-diketonato tris-(4,4,4-trifluoro-1-phenyl-acetyl-acetonate (tfba(-)) ligands and two bridging OH(-) groups in a distorted square-anti-prismatic geometry. The Hf-O bond lengths vary from 2.073?(2) to 2.244?(2)?Å and the O-Hf-O bite angles vary from 73.49?(9) to 75.60?(9)°. Weak O-H?O hydrogen-bonding inter-actions are observed between the bridging hy-droxy groups and the dimethylformamide solvent mol-ecules. The unit cell contains solvent-accessible voids of 131?Å(3), but the residual electron density in the difference Fourier map suggests no solvent mol-ecule occupies this void.

| S-EPMC3238724 | biostudies-literature

Tetra-ethyl-ammonium tetra-kis-(1,1,1,5,5,5-hexa-fluoro-acetyl-acetonato)terbate(III).

Project description:The title compound, (C(8)H(20)N)[Tb(C(5)HF(6)O(2))(4)], is a tetrakis ?-diketonate complex of hexa-fluoro-acetyl-acetone with terbium(III), and tetra-ethyl-ammonium as the counter-ion. This compound shows typical green terbium(III) luminescence upon excitation at about 335?nm. The coordination geometry around the Tb(III) atom is a slightly distorted square anti-prism. One hexa-fluoro-acetyl-acetone ligand has a disordered CF(3) group [occupancies of 0.575?(4) and 0.425?(4)]. A three-dimensional network is built up by linkage of Tb(III) complexes via C-H?F inter-actions.

| S-EPMC3274855 | biostudies-other

Tris(1,1,1,5,5,5-hexa-fluoro-2,4-pentane-dionato-?O,O')molybdenum(III).

Project description:In the title compound, [Mo(C(5)HF(6)O(2))(3)], the unit cell is built up by three independent Mo(III) atoms located on two different threefold axes. The three independent mol-ecules are roughly identical and each Mo(III) atom is surrounded by three chelating hexa-fluoro-acetonate ligands in a three-bladed propeller-like arrangement, as observed in related compounds with acetyl-acetonate-type ligands. The structure of the title compound is very similar to the trigonal form of the Cr(III) analogue. However, the latter crystallizes in a higher-symmetry space group, Pc1. Both crystals are twinned by merohedry with the same twin law (0/010/00) in reciprocal space, but the symmetry of the Laue group in which it operates is different, to m for the title complex, and m to 6/mmm for the Cr(III) complex.

| S-EPMC2983654 | biostudies-literature

Aqua-bis-(1,1,1,5,5,5-hexa-fluoro-acetyl-acetonato)[4'-(4-pyrid-yl)-2,2':6',2''-terpyridine]-ytterbium(III) chloride methanol monosolvate monohydrate.

Project description:The title compound, [Yb(C(5)HF(6)O(2))(2)(C(20)H(14)N(4))(H(2)O)]Cl·CH(3)OH·H(2)O, adopts an eight-coordinated geometry around the Yb(III) atom consisting of a 4'-(4-pyrid-yl)-2,2':6',2''-terpyridine (pytpy) ligand, two 1,1,1,5,5,5-hexa-fluoro-acetyl-acetonate (hfac) anions and an aqua ligand. In the solid state, the compound forms supra-molecular chains running along the b-axis via inter-molecular hydrogen bonds between the Yb-OH(2) unit and the N-atom donor of the 4-pyridyl pendant of pytpy, with an O?N distance of 2.686?(4)?Å. A chloride counter-anion and lattice methanol and water solvent mol-ecules occupy a hydro-philic columnar space along the coordination chains. O-H?Cl hydrogen bonds occur. The two water molecules and the four trifluoromethyl groups are disordered over two sets of sites, each with different occupancy ratios.

| S-EPMC3254304 | biostudies-literature

Tetra-kis(1,1,1-trifluoro-acetyl-acetonato-?O,O')hafnium(IV) toluene disolvate.

Project description:In the title compound, [Hf(C(5)H(4)F(3)O(2))(4)]·2C(7)H(8), the Hf(IV) atom, lying on a twofold rotation axis, is coordinated by eight O atoms from four 1,1,1-trifluoro-acetyl-acetonate ligands with an average Hf-O distance of 2.173?(1)?Å and O-Hf-O bite angles of 75.69?(5) and 75.54?(5)°. The coordination polyhedron shows a slightly distorted Archimedean square antiprismatic geometry. The asymmetric unit contains a toluene solvent mol-ecule. The crystal structure involves C-H?.F hydrogen bonds.

| S-EPMC2961404 | biostudies-literature

(Acetyl-acetonato-?(2)O,O')carbon-yl[tris-(naphthalen-1-yl)phosphane-?P]rhodium(I) acetone hemisolvate.

Project description:The title compound, [Rh(C(5)H(7)O(2))(C(30)H(21)P)(CO)]·0.5C(3)H(6)O, has two different complex molecules in the asymmetric unit, with the Rh(I) atoms in slightly distorted square-planar coordination environments. The molecules are packed as two monomeric mol-ecules with one acetone solvent mol-ecule sitting at the centre.

| S-EPMC3343806 | biostudies-other

Tetra-kis(1,1,1-trifluoro-acetyl-acetonato-?O,O')zirconium(IV) toluene solvate.

Project description:In the title compound, [Zr(C(5)H(4)F(3)O(2))(4)]·C(7)H(8), the Zr atom is in a square-anti-prismatic coordination geometry that comprises four O,O'-bidentate trifluoro-acetyl-acetonate ligands. The O-Zr-O bite angles of the acetonate ligands range from 75.27?(5) to 75.41?(5)°. The Zr atom is located on a twofold rotation axis.

| S-EPMC2961572 | biostudies-literature

Tris(?(5)-cyclo-penta-dien-yl)-tris-[?(6)-[9,10-dihydro-anthracene-9,10-endo-3',4'-(N-benz-yl)pyrrolidine]]triruthenium(II) tris-(hexa-fluoro-phosphate) acetone disolvate.

Project description:In the title compound, [Ru(3)(C(25)H(23)N)(C(5)H(5))(3)]·3PF(6)·2C(3)H(6)O], the cation is a triruthenium complex of a 9,10-dihydro-anthracene derivative. Three RuCp(+) (Cp is cyclo-penta-dien-yl) groups are bonded to the three aromatic rings of the ligand. Surprisingly, the pyramidalized N atom of the heterocycle (? C-N-C = 329.0°) points towards the anthracenyl group, so losing its coordinative ability. There is an inter-molecular C-H?? inter-action involving an acetone mol-ecule and the adjacent benzyl ring of the ligand. In the crystal, mol-ecules are linked via a number of C-H?O and C-H?F inter-actions and a C-H?? inter-action, leading to the formation of a three-dimensional supra-molecular structure. One of the Cp groups is disordered over two positions, with refined occupancies of 0.695?(14):0.305?(14). Two of the three hexa-fluoro-phospate anions are disordered, with refined occupancies of 0.630?(6):0.370?(6) and 0.771?(8):0.229?(8). One of the two solvent acetone mol-ecules is also disordered, with refined occupancies of 0.82?(2):0.18?(2).

| S-EPMC3470180 | biostudies-literature

Tris(morpholinium) hexa-?(3)-hydroxido-hexa-?(2)-oxido-dodeca-oxidohexa-molybdenum(VI)chromate(III) tetra-hydrate.

Project description:In the title organic-inorganic hybrid compound, (C(4)H(10)NO)(3)[H(6)CrMo(6)O(24)]·4H(2)O, the Anderson-type [H(6)CrMo(6)O(24)](3-) polyoxoanion is centrosymmetric, with the Cr(III) ion lying on an inversion center. One of the two crystallographiclly independent morpholinium cations is half-occupied. Inter-molecular N-H?O and O-H?O hydrogen bonds link the cations, polyoxoanions and uncoordinated water mol-ecules.

| S-EPMC3120305 | biostudies-literature

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