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

ABSTRACT: 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.

SUBMITTER: Steyn M

PROVIDER: S-EPMC2961572 | biostudies-literature | 2008 May

REPOSITORIES: biostudies-literature

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

Steyn Maryke M Roodt Andreas A Steyl Gideon G

Acta crystallographica. Section E, Structure reports online 20080521 Pt 6

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. ...[more]

PMID: 21202509

Similar Datasets

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

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.

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Project description:In the anion of the title compound, (C(5)H(6)N)[Dy(C(5)H(4)F(3)O(2))(4)], the central metal ion, Dy(3+), is coordinated by four bidentate 1,1,1-trifluoro-pentane-2,4-dionate (TAA) ligands, forming an approximate square-anti-prismatic configuration. The pyridin-ium cation is connected to the complex ion by an N-H?O hydrogen bond and electrostatic inter-actions in the crystal. There are two kinds of disorder in the structure, one involving rotational disorder of a CF(3) group [occupancy ratio 0.560?(15):0.440?(15)] and the other involving an exchange between a CF(3) group and CH(3) group within a given bidentate ligand (occupancy ratio 0.64:0.36).

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Project description:In the title compound, [Re(C(5)H(4)F(3)O(2))(C(5)H(5)N)(CO)(3)], the Re(I) atom is six-coordinated owing to bonding by three carbonyl ligands arranged in a fac configuration, two O atoms from the bidentate 1,1,1-trifluoro-acetyl-acetonate ligand and an N atom from a pyridine ligand. In the crystal, the mol-ecules pack in layers, diagonally, in a head-to-tail fashion across the ab plane. These layers are stabilsed by inter-molecular C-H?O and C-H?F hydrogen bonds.

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Dichloridoocta-kis(4-chloro-benz-yl)di-?(2)-hydroxido-di-?(3)-oxido-tetra-tin(IV) toluene solvate.

Project description:The title stannoxane is a toluene-solvated dimer, [Sn(4)(C(7)H(6)Cl)(8)Cl(2)O(2)(OH)(2)]·C(7)H(8), the tetra-nuclear mol-ecule lying across a center of inversion. The Sn(4)O(4) framework, whose two independent Sn atoms show trigonal bipyramidal coordination, is essentially planar (r.m.s deviation = 0.02?Å). One of the two chloro-benzyl groups of the chloridodiorganyltin unit is disordered over two positions with the chloro-phenyl residue refined over two positions in a 50:50 ratio. The solvent mol-ecule is disordered about a twofold axis.

| S-EPMC2977629 | biostudies-literature

cyclo-Tetra-?-oxido-tetra-kis-[(acetyl-acetonato-?O,O')bis-(ethano-lato-?O)niobium(V)].

Project description:The asymmetric unit of the title tetra-nuclear niobium(V) compound, [Nb(4)(C(2)H(5)O)(8)(C(5)H(7)O(2))(4)O(4)], contains two Nb(V) atoms, two bridging O atoms, two acetyl-acetonate and four ethano-late ligands. Each Nb(V) atom is six-coordinated by the bridging O atoms, two ethano-late and one chelating acetyl-acetonate ligands. The Nb-O distances vary between 1.817?(2) and 2.201?(2)?Å and the O-Nb-O angles vary between 78.88?(8) and 102.78?(9)°, illustrating the significant distortion from ideal ocahedral geometry. The rest of the tetra-nuclear unit is generated through an inversion centre. The C atoms of two of the ethano-late mol-ecules are disordered over two sites [occupancy ratio 0.601?(12):0.399?(12)].

| S-EPMC3238602 | biostudies-literature

Tetra-kis[3,5-bis-(trifluoro-meth-yl)phenyl]tin(IV).

Project description:The title mol-ecule, [Sn(C(8)H(3)F(6))(4)], lies on a twofold rotation axis with the Sn(IV) ion in a distorted tetra-hedral coordination environment. Both -CF(3) groups attached to one of the unique benzene rings are disordered over two sets of sites, with the ratios of refined occupancies being 0.719?(14):0.281?(14) and 0.63?(5):0.37?(5).

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Tetra-kis(picolinato-?N,O)zirconium(IV) dihydrate.

Project description:In the title compound, [Zr(C(6)H(4)NO(2))(4)]·2H(2)O, the Zr(IV) atom is located on a crystallographic fourfold rotoinversion axis ([Formula: see text]) and is coordinated by four picolinate anions with Zr-O and Zr-N distances of 2.120?(2) and 2.393?(2)?Å, respectively. An approximate square-anti-prismatic coordination polyhedron of the N,O-coordination ligand atoms is formed, with a distortion towards dodeca-hedral geometry. The crystal packing is stabilized by inter-molecular ?-? inter-actions between adjacent picolinate rings [centroid-centroid distances = 3.271?(1) and 3.640?(2)?Å], as well as O-H?O hydrogen bonds between the solvent mol-ecules and the coordinated ligands, thereby linking the mol-ecules into a supra-molecular three-dimensional network.

| S-EPMC3200838 | biostudies-other

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

Project description: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.

| S-EPMC2971352 | 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.

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