Browse
Submit Data
Databases
API
Help

Dataset Information

7 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

(?-3,4-Diacetyl-hexa-2,4-diene-2,5-diol-ato-?O,O:O,O)bis-[aqua(1,10-phen-an-thro-line-?N,N')copper(II)] bis-(tetra-fluorid-oborate) monohydrate.

ABSTRACT: In the title compound, [Cu(2)(C(10)H(12)O(4))(C(12)H(8)N(2))(2)(H(2)O)(2)](BF(4))(2)·H(2)O, the two Cu atoms are each chelated by the acetyl-acetonate unit of the 3,4-diacetyl-hexa-2,4-diene-2,5-diolate (tae) ligand. The Cu atoms are square-pyramidally penta-coordinated, with one bidentate 1,10-phenanthroline (phen) and the tae ligand basal and one water mol-ecule apical. The pyridyl rings of the phen ligands participate in ?-? [centroid-centroid distance = 3.894?(3)?Å] and C-H ? ? inter-actions, generating layers which are inter-connected through O-H?O and O-H?F hydrogen bonds between the water mol-ecules and the tetra-fluorido-borate anions. The F atoms of both tetra-fluorido-borate anions are each disordered over two positions of equal occupancy.

SUBMITTER: Tovilla JA

PROVIDER: S-EPMC2969010 | biostudies-literature | 2009 Mar

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

(μ-3,4-Diacetyl-hexa-2,4-diene-2,5-diol-ato-κO,O:O,O)bis-[aqua(1,10-phen-an-thro-line-κN,N')copper(II)] bis-(tetra-fluorid-oborate) monohydrate.

Tovilla Jorge A JA Hernández-Ortega Simón S Valdés-Martínez Jesús J

Acta crystallographica. Section E, Structure reports online 20090306 Pt 4

In the title compound, [Cu(2)(C(10)H(12)O(4))(C(12)H(8)N(2))(2)(H(2)O)(2)](BF(4))(2)·H(2)O, the two Cu atoms are each chelated by the acetyl-acetonate unit of the 3,4-diacetyl-hexa-2,4-diene-2,5-diolate (tae) ligand. The Cu atoms are square-pyramidally penta-coordinated, with one bidentate 1,10-phenanthroline (phen) and the tae ligand basal and one water mol-ecule apical. The pyridyl rings of the phen ligands participate in π-π [centroid-centroid distance = 3.894 (3) Å] and C-H ⋯ π inter-actions ...[more]

PMID: 21582322

Similar Datasets

Bis(ethanamidinium) (1,10-phen-an-thro-line-2,9-dicarboxyl-ato)manganate(II) hepta-hydrate.

Project description:In the title complex, (C2H7N2)2[Mn(C14H6N2O4)2]·7H2O, the Mn(II) atom is coordinated by four N atoms and four O atoms from two 1,10-phenanthroline-2,9-dicarboxyl-ate ligands in a distorted dodeca-hedral geometry. The double negative charge is balanced by two ethanamidinium cations. A three-dimensional supra-molecular structure is formed through N-H?O and O-H?O hydrogen bonds and ?-? stacking inter-actions [centroid-centroid distance = 3.553?(2)?Å].

| S-EPMC3588374 | biostudies-literature

Poly[piperazinediium [aqua-bis(?-pyridine-2,5-dicarboxyl-ato)zincate] dihydrate].

Project description:The polymeric title compound, {(C(4)H(12)N(2))[Zn(C(7)H(3)NO(4))(2)(H(2)O)]·2H(2)O}(n), was obtained by the reaction of zinc(II) nitrate hexa-hydrate with the proton-transfer compound (pipzH(2))(py-2,5-dc) (where pipz is piperazine and py-2,5-dcH(2) is pyridine-2,5-dicarboxylic acid) in aqueous solution. Each Zn(II) atom is coordinated in a distorted octa-hedral geometry by four O atoms and two N atoms from one water mol-ecule and two (py-2,5-dc)(2-) ligands, which also act as bridging ligands between Zn(II) atoms. ?-? Stacking inter-actions between two aromatic rings of (py-2,5-dc)(2-) fragments, with centroid-centroid distances of 3.4747?(7) and 3.7081?(7)?Å are observed. The crystal structure is stabilized by O-H?O and N-H?O hydrogen bonds.

| S-EPMC2915064 | biostudies-literature

Poly[hexa-aqua-bis-(?(4)-pyrimidine-4,6-dicarboxyl-ato)tetra-lithium].

Project description:The asymmetric unit of the title compound, [Li(4)(C(6)H(2)N(2)O(4))(2)(H(2)O)(6)](n), comprises two Li(+) ions bridged by a completely deprotonated pyrimidine-3,6-dicarboxyl-ate ligand and coordinated by two water mol-ecules; the asymmetric units related by an inversion operation create a structural unit which forms part of a two-dimensional polymeric structure parallel to (10-1). One of the Li(+) ions shows a distorted tetra-hedral arrangement involving two symmetry-related coordinating water mol-ecules and two carboxyl-ate O atoms. The other Li(+) ion is in distorted trigonal-bipyramidal geometry defined by N and O atoms of the ligands and a water mol-ecule. Water O atoms are proton donors to carboxyl-ate O atoms forming hydrogen bonds.

| S-EPMC3470151 | biostudies-literature

Poly[[hexa-aqua-bis-(?3-pyrimidine-4,6-dicarboxyl-ato)dicalcium] dihydrate].

Project description:The polymeric structure of the title compound, {[Ca2(C6H2N2O4)2(H2O)6]·2H2O} n , is built up of mol-ecular layers composed of Ca(II) ions bridged by both ligand N and O atoms with one of the O atoms being bis-monodentate. Two adjacent Ca(II) ions are bridged by these O atoms, forming a centrosymmetric dimer which is the building unit of the structure. The dimers are nodes of a cross-linked mol-ecular layer parallel to (101). The Ca(II) ion is coordinated by two bidentate ligands, one monodentate ligand and three water mol-ecules in the form of a distorted polyhedron with a coordination number of eight. Solvate water mol-ecules located between adjacent layers participate as donors and acceptors in a system of hydrogen bonds in which coordinating water mol-ecules also act as donors and non-coordinating carboxyl-ate O atoms act as acceptors.

| S-EPMC3588738 | biostudies-literature

Poly[tetra-aqua-bis-(μ(4)-thio-phene-2,5-dicarboxyl-ato)(μ(2)-thio-phene-2,5-dicarboxyl-ato)dieuropium(III)].

Project description:The three-dimensional coordination polymer, [Eu(2)(C(6)H(2)O(4)S)(3)(H(2)O)(4)](n), has been synthesized under hydro-thermal conditions. The asymmetric unit comprises one Eu(3+) cation, two aqua ligands and one and a half thiophene-2,5-dicarboxylate anions (the half-anion being completed by a twofold rotation axis). The Eu(3+) cation is eight-coordinated in a distorted dodeca-hedral geometry. The crystal structure features O-H⋯O hydrogen bonds.

| S-EPMC3414099 | biostudies-literature

2,5-Dichloro-3,6-diisopropyl-cyclo-hexa-2,5-diene-1,4-dione.

Project description:The mol-ecule of the title compound, C(12)H(14)Cl(2)O(2), lies about an inversion center. The six-membered ring is almost planar, with the largest deviation from the least-squares plane being 0.014?(4)?Å. The mol-ecular conformation is stabilized by a weak intra-molecular C-H?O hydrogen bond. In the crystal, mol-ecules are packed into stacks along the c-axis direction, with an inter-centroid separation of 4.811?(2)?Å. Neighboring mol-ecules within the stack are related by the c-glide plane.

| S-EPMC3435695 | biostudies-literature

?-2,5-Dihy-droxy-terephthalato-bis-[tri-aqua-(1,10-phenanthroline)zinc] dihy-droxy-terephthalate.

Project description:In the title compound, [Zn2(C8H4O6)(C12H8N2)2(H2O)6](C8H4O6), the complete ions of both the binuclear dication and the dianion are generated by crystallographic inversion symmetry. The Zn atom is bonded to an N,N'-bidentate phenanthroline ligand, three water moleules and an O-mono-denate 2,5-dihy-droxy-terephthalate dianion. In the resulting distorted octa-hedral ZnN2O4 coordination poly-hedron, the water O atoms are in a mer orientation. Two intra-molecular O-H?O hydrogen bonds occur in the bridging 2,5-dihy-droxy-terephthalate dianion within the complex cation and also in the free dianion. An intra-molecular Ow-H?O (w = water) hydrogen bond also occurs within the dication. In the crystal, O-H?O hydrogen bonds link the component ions into a three-dimensional network.

| S-EPMC3588754 | biostudies-literature

Poly[[?-aqua-diaqua-bis-(?-furan-2,5-dicarboxyl-ato-?(2) O (2):O (5))bis-(1,10-phenanthroline-?(2) N,N')dicopper(II)] N,N-dimethyl-formamide monosolvate].

Project description:The asymmetric unit of the title compound, {[Cu2(C6H2O5)2(C12H8N2)2(H2O)3]·C3H7NO} n , contains two Cu(II) atoms, two furan-2,5-dicarboxyl-ate (L) ligands, two 1,10-phenanthroline (phen) ligands, three coordinating water mol-ecules and one N,N-dimethyl-formamide solvent mol-ecule. Each Cu(II) atom is coordinated by two N atoms from one phen ligand, two O atoms from two L ligands and two water mol-ecules in a distorted octa-hedral geometry. The main difference between the environments of the two independent Cu atoms is in the Cu-Owater distances, which are 2.415?(2) and 2.639?(2)?Å for one Cu(II) atom and 2.3560?(19) and 2.911?(4)?Å for the other. Ligands L and one independent water mol-ecule bridge the Cu(II) atoms, forming corrugated polymeric layers parallel to the ab plane. Inter-molecular O-H?O and C-H?O hydrogen bonds consolidate the crystal packing.

| S-EPMC3588742 | biostudies-literature

(?-Butane-1,2,3,4-tetra-carboxyl-ato)bis-[triaqua-(1,10-phenanthroline)nickel(II)] hexa-hydrate.

Project description:The asymmetric unit of the title compound, [Ni(2)(C(8)H(6)O(8))(C(12)H(8)N(2))(2)(H(2)O)(6)]·6H(2)O, contains a half of the centrosymmetric dinuclear complex mol-ecule and three uncoordinated water mol-ecules. In the dinuclear mol-ecule, two Ni(II) cations are bridged by the butane-1,2,3,4-tetra-carboxyl-ate (BTC(4-)) anion. Each Ni(II) atom is coordinated by two N atoms from the 1,10-phenanthroline ligand, one O atom from the BTC(4-) anion and three aqua ligands in a distorted octa-hedral geometry. Inter-molecuar O-H?O hydrogen bonds and ?-? stacking inter-ations [centroid-centroid distances = 3.646?(2), 3.781?(2) and 3.642?(2)?Å] consolidate the crystal packing.

| S-EPMC3011463 | biostudies-literature

Bis[tetra-aqua-(1,10-phenanthroline-?N,N')cobalt(II)] hexa-aqua-cobalt(II) bis-[3,5-bis-(carboxyl-atometh-oxy)benzoate] tetra-hydrate.

Project description:The title compound, [Co(C(12)H(8)N(2))(H(2)O)(4)](2)[Co(H(2)O)(6)](C(11)H(7)O(8))(2)·4H(2)O, was obtanied by the reaction of cobalt acetate with 3,5-bis-(carb-oxy-meth-oxy)benzoic acid and 1,10-phenanthroline. The asymmetric unit contains one tetra-aqua-(1,10-phenanthroline)cobalt(II) cation, one half of a hexa-aqua-cobalt(II) cation that is completed by inversion symmetry, one 3,5-bis-(carboxyl-atometh-oxy)benzoate trianion and two lattice water mol-ecules. The two Co(II) atoms each show a slightly distorted octa-hedral coordination (CoO(6) and CoO(4)N(2)). The cations, anions and lattice water mol-ecules are linked by an intricate network of O-H?O hydrogen bonds into a three-dimensional structure.

| S-EPMC3011475 | 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