Browse
Submit Data
Databases
API
Help

Dataset Information

30 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Tetra-kis(1,3-diphenyl-propane-1,3-dionato)hafnium(IV).

ABSTRACT: In the title compound, [Hf(C(15)H(11)O(2))(4)], the Hf(IV) atom is coordinated by four 1,3-diphenyl-propane-1,3-dionato ligands with an average Hf-O distance of 2.17?(3)?Å and O-Hf-O bite angles varying from 74.5?(1) to 75.02?(9)°. The coordination polyhedron shows a slightly distorted Archimedean square-anti-prismatic geometry. The crystal packing is stabilized by weak C-H?O inter-actions.

SUBMITTER: Viljoen JA

PROVIDER: S-EPMC3008122 | biostudies-literature | 2010 Aug

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Tetra-kis(1,3-diphenyl-propane-1,3-dionato)hafnium(IV).

Viljoen J Augustinus JA Visser Hendrik G HG Roodt Andreas A

Acta crystallographica. Section E, Structure reports online 20100804 Pt 9

In the title compound, [Hf(C(15)H(11)O(2))(4)], the Hf(IV) atom is coordinated by four 1,3-diphenyl-propane-1,3-dionato ligands with an average Hf-O distance of 2.17 (3) Å and O-Hf-O bite angles varying from 74.5 (1) to 75.02 (9)°. The coordination polyhedron shows a slightly distorted Archimedean square-anti-prismatic geometry. The crystal packing is stabilized by weak C-H⋯O inter-actions. ...[more]

PMID: 21588480

Similar Datasets

trans-Bis(1,3-diphenyl-propane-1,3-dionato)(methanol)oxidovanadium(IV) methanol disolvate.

Project description:In the title compound, [V(C15H11O2)2O(CH3OH)]·2CH3OH, the V(IV) atom is coordinated by two 1,3-diphenyl-propane-1,3-dionate ligands and an oxide ligand in an axial position. The sixth position is occupied by the O atom of a methanol group bonded trans to the oxide atom. The octa-hedral geometry is significantly distorted, with the V(IV) atom lying 0.330?(3)?Å above the equatorial plane formed by the O atoms of the two ?-diketonate ligands. In the crystal, O-H?O hydrogen bonds between the coordinating methanol group in the complex and the two methanol solvent mol-ecules lead to the formation of polymeric chains along the c-axis direction. Weak C-H?O contacts are also observed.

| S-EPMC3588710 | biostudies-literature

Dichloridobis(1,3-phenyl-propane-1,3-dionato-κO,O')tin(IV) toluene hemisolvate.

Project description:The two Sn-O-C-C-C-O chelate rings in the title compound, [Sn(C(15)H(11)O(2))(2)Cl(2)]·0.5C(7)H(8), adopt envelope conformations, with the Sn atom deviating from the least-squares plane passing through the C and O atoms by 0.626 (1) Å in one ring and by 0.690 (1) Å for the other. The two planes are aligned at an angle of 59.6 (1)°. The Cl atoms occupy cis positions in the octa-hedral SnCl(2)O(4) coordination environment. The solvent mol-ecule is disordered about a center of inversion.

| S-EPMC3007579 | biostudies-literature

Tetra-kis(8-quinolinolato-?N,O)hafnium(IV) dimethyl-formamide solvate monohydrate.

Project description:In the title compound, [Hf(C(9)H(6)NO)]·C(3)H(7)NO·H(2)O, the hafnium(IV) atom is coordinated by four 8-quinolinolate (Ox) ligands, forming a slightly distorted square-anti-prismatic coordination polyhedron. The crystal packing is controlled by O-H?O and C-H?O hydrogen-bonding inter-actions and ?-? inter-actions between quinoline ligands of neighbouring mol-ecules. The inter-planar distances vary between 3.150?(1) and 3.251?(2)?Å, while centroid-centroid distances vary from 3.589?(1) to 4.1531?(1)?Å.

| S-EPMC2979151 | 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.

| S-EPMC6072989 | biostudies-literature

Tetra-kis(1,1,1-trifluoro-acetyl-acetonato-κO,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

Tetra-kis(5,7-dimethyl-quinolin-8-olato-?N,O)hafnium(IV) dimethyl-formamide disolvate.

Project description:In the title compound, [Hf(C(11)H(10)NO)(4)]·2C(3)H(7)NO, the Hf(IV) atom is coordinated by four N,O-donating bidentate 5,7-dimethyl-8-quinolino-late (Ox(-)) ligands arranged to give a distorted square-anti-prismatic coordination polyhedron. The average Hf-O and Hf-N distances are 2.098 and 2.298?Å, respectively, and the average O-Hf-N bite angle is 70.2°. The crystal packing is controlled by ?-? inter-actions between Ox(-) ligands of neighbouring mol-ecules, giving rise to a three-dimensional supra-molecular grid network. The inter-planar distances vary from 3.441?(1) to 3.509?(1)?Å, while the centroid-centroid distances vary from 3.688?(2) to 3.759?(12)?Å. A non-classical C-H?O hydrogen bond is observed between the complex and one of the solvate mol-ecules.

| S-EPMC3201287 | biostudies-literature

Tetra-kis(quinolin-8-olato-?N,O)hafnium(IV) toluene disolvate.

Project description:In the title compound, [Hf(C(9)H(6)NO)(4)]·2C(7)H(8), the hafnium metal centre is coordinated by four N,O-donating bidentate quinolin-8-olate ligands arranged to give a square-anti-prismatic coordination polyhedron with a slightly distorted dodeca-hedral geometry. The average Hf-O and Hf-N distances are 2.096?(3) and 2.398?(3)?Å, respectively, and the average O-Hf-N bite angle is 70.99?(11)°. The crystal packing is controlled by ?-? inter-actions between quinoline ligands of neighbouring mol-ecules and hydrogen-bonding inter-actions. The inter-planar distances vary between 3.138?(1) and 3.208?(2)?Å, while the centroid-centroid distances range from 3.576?(1) to 4.074?(1)?Å.

| S-EPMC2972127 | biostudies-other

Bis[1,3-bis-(diphenyl-phosphan-yl)propane]-copper(I) tetra-chlorido-gallate(III).

Project description:In the title compound, [Cu(C??H??P?)?][GaCl?], the Cu(I) atom in the complex cation is P,P'-chelated by two 1,3-bis-(diphenyl-phosphan-yl)propane ligands in a distorted tetra-hedral geometry, while the Ga(III) cation is coordinated by four chloride anions in a distorted tetra-hedral geometry. In the crystal, weak C-H?? inter-actions occur between adjacent complex cations.

| S-EPMC3393151 | biostudies-literature

Pyridinium tetra-kis-(1,1,1-trifluoro-pentane-2,4-dionato)dysprosate.

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).

| S-EPMC3052034 | biostudies-literature

Poly[tetra-kis[μ(2)-1,3-bis-(4-pyrid-yl)propane-κN:N']dichloridobis(phenyl-acetato)dimanganese(II)].

Project description:In the title compound, [Mn(2)(C(8)H(7)O(2))(2)Cl(2)(C(13)H(14)N(2))(4)](n), the two Mn(II) atoms lie on inversion centers and are connected by the N-heterocyclic ligands into a wave-like lamellar framework structure. One Mn(II) atom is covalently bonded to two Cl atoms and the other to two benzyl-acetate anions; both Mn atoms show distorted octahedral coordinations.

| S-EPMC2983499 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

Tweets

OmicsDI Databases

PRIDE
PeptideAtlas
MassIVE
JPOST Repository
Physiome Model Repository

EGA
EVA
ENA
LINCS
PAXDB
Cell Collective

MetaboLights
Metabolomics Workbench
MetabolomeExpress
GNPS
BioModels
FAIRDOMHub

ArrayExpress
dbGaP
ExpressionAtlas
GEO
NODE

Information

Databases
Help
API
Contact us
Code on GitHub
Terms of use
Submit Data