Browse
Submit Data
Databases
API
Help

Dataset Information

13 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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.

SUBMITTER: Viljoen JA

PROVIDER: S-EPMC2979151 | biostudies-literature | 2010 Apr

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

Viljoen Johannes A JA Visser Hendrik G HG Roodt Andreas A

Acta crystallographica. Section E, Structure reports online 20100430 Pt 5

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 π-π 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 ( ...[more]

PMID: 21579072

Similar Datasets

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

Project description: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.

| S-EPMC3008122 | biostudies-literature

Redetermination of cyclo-tetra-kis-(?-5,10,15,20-tetra-4-pyridyl-porphyrinato)tetra-zinc(II) dimethyl-formamide octa-solvate trihydrate at 100?K.

Project description:The structure of the title compound, [Zn(4)(C(40)H(24)N(8))(4)]·8C(3)H(7)NO·3H(2)O, has been redetermined at 100?K. The redetermination is of significantly higher precision and gives further insight into the disorder of pyridyl groups and solvent mol-ecules. The mol-ecules of (5,10,15,20-tetra-4-pyridyl-porphyrinato)zinc(II) (ZnTPyP) form homomolecular cyclic tetra-mers by coordination of a peripheral pyridyl group to the central Zn atom of an adjacent symmetry-related mol-ecule. The tetra-mer so formed exhibits mol-ecular S(4) symmetry and is located about a crystallographic fourfold rotoinversion axis. Severely disordered dimethyl-formamide and water mol-ecules are present in the crystal, the contributions of which were omitted from refinement. Inter-molecular C-H?N hydrogen bonding is observed.

| S-EPMC3051794 | biostudies-literature

Poly[tetra-kis-(dimethyl-formamide)tris(?(4)-terephthalato)trimagnesium].

Project description:The title framework compound, [Mg(3)(C(8)H(4)O(4))(3)(C(3)H(7)NO)(4)](n) or [Mg(3)(bdc)(3)(DMF)(4)](n), was obtained as a side product of the solvothermal reaction of magnesium nitrate, terephthalic acid (bdcH(2)), and 1,3-bis-(4-pyrid-yl)propane in a 1:2:1 ratio in dimethyl-formamide (DMF). The asymmetric unit consists of three Mg(II) cations, three terephthalate anions, and four coordinating DMF mol-ecules. One of the four DMF mol-ecules was refined as disordered over two mutually exclusive positions, with an occupancy rate for the major moiety of 0.923?(4). The three Mg(II) cations possess distorted octa-hedral coordination geometries that form linear Mg trimers. Of the three Mg(II) cations, the central Mg(II) is octa-hedrally coordinated by six different carboxyl-ate O atoms. The terminal Mg(II) cations are bonded to four O atoms of three bdc linkers and to two O atoms of coordinating DMF mol-ecules. The compound has a two-dimensional 3(6)-network structure parallel to (001) that is formed by connection of the Mg trimers as distorted octa-hedral nodes to the bdc ligands as linkers.

| S-EPMC3470164 | biostudies-literature

Redetermination of diaqua-tetra-kis-(dimethyl-formamide-?O)magnesium dichloride.

Project description:The crystal structure of the title compound, [Mg(C(3)H(7)NO)(4)(H(2)O)(2)]Cl(2), in which the Mg ion lies on a crystallographic inversion centre, confirms that of the previous room-temperature study [Pavanello et al. (1995 ?). Main Group Met. Chem.18, 9-19]. This redetermination at 113?K has improved geometry precision by almost an order of magnitude [e.g. Mg-O(w) (w = water) distances = 2.094?(4) and 2.0899?(7)?Å in the old and new structures, respectively] and allowed the water H atoms to be located and their positions refined. In the crystal, O-H?Cl hydrogen bonds between the two aqua ligands of the complex mol-ecule and neighboring chloride counter-anions generate supra-molecular chains propagating along [010]. The dicationic [Mg(DMF)(4)(H(2)O)(2)] unit (DMF is dimethyl-formamide) adopts a slightly distorted octa-hedral geometry in which the Mg atom is coordinated by four DMF O atoms in a pseudo-tetra-gonal arrangement and two trans aqua ligands.

| S-EPMC3212177 | 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

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(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

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

Diaqua-bis-(1,10-phenanthroline)nickel(II) tetra-kis-(cyanido-?C)nickelate(II) tetra-hydro-furan solvate monohydrate.

Project description:The title complex, [Ni(C(12)H(8)N(2))(2)(H(2)O)(2)][Ni(CN)(4)]·C(4)H(8)O·H(2)O, consists of a cationic [Ni(C(12)H(8)N(2))(2)(H(2)O)(2)](2+) unit, an anionic [Ni(CN)(4)](2-) unit, one uncoordinated water and one tetra-hydro-furan mol-ecule. In the cationic unit, the Ni(2+) atom is coordinated by four N atoms and two O atoms from two 1,10-phenanthroline ligands and two water mol-ecules in a distorted octa-hedral coordination environment. In the anionic unit, the Ni(2+) atom is in a square-planar coordination by four C atoms from four monodentate terminal cyanide ligands. O-H?N and O-H?O hydrogen bonds link neighboring cationic and anionic units, forming a three-dimensional supra-molecular network. The inter-stitial tetra-hydro-furan mol-ecule is independently disordered over two sites in a 1:1 ratio.

| S-EPMC2983352 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

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