Browse
Submit Data
Databases
API
Help

Dataset Information

26 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Diammonium aqua-(ethyl-ene-diamine-tetra-acetato)iron(II) trihydrate.

ABSTRACT: In the title compound, (NH(4))(2)[Fe(C(10)H(12)N(2)O(8))(H(2)O)]·3H(2)O, the Fe(II) center is in a distorted penta-gonal-bipyramidal geometry. Two carboxyl-ate O and two N atoms from the ethyl-enediaminetetra-acetate (EDTA) ion and one O atom from coordinated water comprise the equatorial plane. Two other carboxyl-ate O atoms from the EDTA ion occupy the apical sites. Both ammonium cations and all water mol-ecules function as hydrogen-bond donors, and ten N-H⋯O and nine O-H⋯O hydrogen bonds form a three-dimensional network between the complex anions, cations and the water mol-ecules.

SUBMITTER: Huang HM

PROVIDER: S-EPMC2967920 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

Crystal structure of di-aqua-(μ2-tri-ethyl-ene-tetra-minehexa-acetato)-dizinc tetra-hydrate.

Project description:The reaction of ZnO and tri-ethyl-ene-tetra-minehexaacetic acid (H6TTHA) in aqueous solution after refluxing yields the binuclear title compound, [Zn2(C18H26N4O12)(H2O)2]·4H2O. There is a centre of symmetry in the [Zn2(H2TTHA)(H2O)2] mol-ecule in the crystalline state. Both Zn(II) ions are octahedrally surrounded and bound by an N2O3 donor set from the H2TTHA(4-) anion and a water mol-ecule; the N atoms are cis and the water mol-ecule is trans to an N atom. The Zn⋯Zn separation is 7.562 (1) Å. An intra-molecular C-H⋯O inter-action is observed and both carboxyl-ate H atoms are disordered over two adjacent sites. In the crystal, the components are linked by O-H⋯O and C-H⋯O hydrogen bonds generating a three-dimensonal network.

| S-EPMC4350722 | biostudies-literature

Redetermination of aqua-(dihydrogen ethyl-enediamine-tetra-acetato-?O,O',N,N',O'')nickel(II).

Project description:The crystal structure of the title compound, [Ni(C(10)H(14)N(2)O(8))(H(2)O)] or [Ni(H(2)edta)(H(2)O)] (H(4)edta is ethyl-ene-diamine-tetra-acetic acid), originally determined by Smith & Hoard [J. Am. Chem. Soc. (1959), 81, 556-561] has been redetermined to a significantly higher precision. The Ni(II) atom is coordinated in a distorted octa-hedral geometry by two N atoms and three O atoms from three carboxyl-ate groups of the H(2)edta(2-) ligand and by an O atom of a water mol-ecule. The complex mol-ecules are linked by inter-molecular O-H?O hydrogen bonds into layers perpendicular to [100].

| S-EPMC2979777 | biostudies-literature

N,N'-Bis(2-hydroxy-ethyl)-N,N'-[ethyl-ene-dioxy-bis(o-phenyl-enemethyl-ene)]-diammonium fumarate tetra-hydrate.

Project description:The reaction of 1,2-bis-{2-[(2-hydroxy-ethyl)amino-methyl]-phen-oxy}ethane and fumaric acid in a mixed solution in ethanol-water (1:1 v/v) yields the title compound, C(20)H(30)N(2)O(4) (2+)·C(4)H(2)O(4) (2-)·4H(2)O. In the crystal structure, the anions, cations and water mol-ecules are connected via O-H⋯O and N-H⋯O hydrogen bonds into a three-dimensional network. The fumarate anion and the N,N'-bis-(2-hydroxy-ethyl)-N,N'-[ethyl-enedioxy-bis(o-phenyl-enemethylene)]diammonium cation are located on centers of inversion, whereas the two crystallographically independent water mol-ecules occupy general positions.

| S-EPMC2959538 | biostudies-literature

(μ-2,2',2'',2'''-{[Pyrazine-2,3,5,6-tetra-yltetra-kis(methyl-ene)]tetra-kis(sulfanedi-yl)}tetra-acetato)bis-[aqua-nickel(II)] hepta-hydrate.

Project description:Reaction of the ligand 2,2',2'',2'''-{[pyrazine-2,3,5,6-tetra-yltetra-kis-(methyl-ene)]tetra-kis-(sulfanedi-yl)}tetra-acetic acid (H4L1), with NiCl2 leads to the formation of a binuclear complex, (μ-2,2',2'',2'''-{[pyrazine-2,3,5,6-tetra-yltetra-kis-(methyl-ene)]tetra-kis-(sulfanedi-yl)}tetra-acetato-κ5 O,S,N 1,S',O':κ5 O'',S'',N 4,S''',O''')bis[aqua-nickel(II)] hepta-hydrate, {[Ni2(C16H16N2O8S4)(H2O)2]·7H2O} (I). It crystallizes with two half mol-ecules in the asymmetric unit. The complete mol-ecules are generated by inversion symmetry, with the center of the pyrazine rings being located at crystallographic centres of inversion. The ligand coordinates two NiII ions in a bis-penta-dentate manner and the sixfold coordination sphere of each nickel(II) atom (NiS2O3N) is completed by a water mol-ecule. The complex crystallized as a hepta-hydrate. The binuclear complexes are linked by Owater-H⋯Ocarbon-yl hydrogen bonds, forming layers parallel to the (101) plane. This layered structure is additionally stabilized by weak C-H⋯O hydrogen bonds. Further O-H⋯O hydrogen bonds involving binuclear complexes and solvent water mol-ecules, together with weak C-H⋯S hydrogen bonds, link the layers to form a supra-molecular framework.

| S-EPMC9462308 | biostudies-literature

[μ-N,N'-Bis(2-pyridylmethyl-ene)ethane-1,2-diamine]bis-{aqua-[N,N'-bis-(2-pyridyl-methyl-ene)ethane-1,2-diamine]manganese(II)} tetra-kis(perchlorate).

Project description:The cation of the salt, [Mn(2)(C(14)H(14)N(4))(3)(H(2)O)(2)](ClO(4))(4), lies on a center of inversion, the center lying midway along the ethyl-ene chain of the bridging N,N'-bis-(2-pyridylmethyl-ene)ethane-1,2-diamine ligand. The Mn atom is chelated by two atoms N atoms of this bridging ligand, and is also coordinated by four N atoms of another ligand. The Mn atom is seven-coordinated in a penta-gonal-bipyramidal environment. The crystal structure displays inter-molecular π-π inter-actions between adjacent pyridine rings, with a shortest centroid-centroid distance of 3.784 (3) Å. The perchlorate is linked to the dinuclear cation by O-H⋯O hydrogen bonds.

| S-EPMC2983616 | biostudies-literature

μ-Pyrazine-bis-[tetra-aqua-cadmium(II)] μ-pyrazine-bis-[tetra-acetato-cadmium(II)].

Project description:In the title dinuclear ionic complex, [Cd(2)(C(4)H(4)N(2))(H(2)O)(8)][Cd(2)(CH(3)CO(2))(8)(C(4)H(4)N(2))], the cation and anion are disordered equally over a site with symmetry mmm. The Cd(II) ions and the N atoms of the bridging pyrazine ligand lie on the inter-section of two crystallographic mirror planes. The C atoms of the bridging pyrazine ligand lie on one of these mirror planes, and the acetate groups and water mol-ecules lie across the inter-secting mirror planes. Each Cd(II) atom in the cation is five-coordinated by four O atoms from four water mol-ecules and one N atom from the bridging pyrazine ligand, whereas each Cd(II) in the anion is nine-coordinated by four pairs of O atoms from the bidentate acetate ligands and one N atom from the bridging pyrazine ligand. In the crystal structure, each anion is surrounded by eight nearest-neighbour cations and vice versa. The crystal structure is stabilized by ionic inter-actions as well as by C-H⋯O inter-actions.

| S-EPMC2961302 | biostudies-literature

(?-Methylenediphosphonato-?4 O,O':O'',O''')bis[(ethyl-ene-diamine-?2 N,N')palladium(II)] tetra-hydrate.

Project description:The title compound, [Pd2(C2H8N2)2(CH2O6P2)]·4H2O, comprises of a binuclear mol-ecule (point group symmetry 2), with a twofold rotation axis running through the central C atom of the methyl-enedi-phospho-nate (MDP) anion. The PdII atom has a square-planar coordination environment defined by the N atoms of a bidentate ethyl-enedi-amine (en) ligand and two O atoms of the bridging MDP anion. In the crystal structure, metal complexes are arranged in layers parallel (001) and are sandwiched between layers containing disordered water mol-ecules of crystallization. Extensive intra-layer hydrogen bonds of the type N-H?O in the metal complex layer and O-H?O in the water layer, as well as O-H?O hydrogen bonds between the two types of layers, lead to the formation a three-dimensional network structure. The two lattice water mol-ecules are each equally disordered over two positions.

| S-EPMC6281122 | biostudies-literature

Aqua-dipicrato(tetra-ethyl-ene glycol)gadolinium(III) picrate methanol hemisolvate.

Project description:THE ASYMMETRIC UNIT OF THE TITLE COMPOUND [SYSTEMATIC NAME: aqua-bis(2,4,6-trinitro-phenolato)(3,6,9-trioxaundecane-1,11-diol)gadolinium(III) 2,4,6-trinitro-phenolate methanol hemi-solvate], [Gd(C(6)H(2)N(3)O(7))(2)(C(8)H(18)O(5))(H(2)O)](C(6)H(2)N(3)O(7))·0.5CH(4)O, contains two crystallographically independent Gd(III) complex cations with two uncoordinated picrate anions and one methanol mol-ecule. Each Gd(III) atom has nine coordination sites occupied by five O atoms of tetra-ethyl-ene glycol as a penta-dentate ligand, one O atom of a water mol-ecule and three O atoms of the two picrate anions as bidentate and monodentate ligands. The geometry is distorted tricapped trigonal prismatic. The mean planes of the two coordinated mono- and bidentate picrate ligands to the Gd(III) center are almost perpendicular to each other, as indicated by the dihedral angles of 89.92?(8) and 86.60?(8)° in the two complex cations. The ions are arranged in a two-dimensional network parallel to the ac plane. Short O?O and N?O contacts between the nitro groups, intra-molecular C-H?O hydrogen bonds, inter-molecular O-H?O, O-H?N and C-H?O hydrogen bonds, and two ?-? inter-actions between benzene rings [centroid-centroid distances = 3.8073?(10)-3.9831?(10)?Å] are observed. The methanol solvent mol-ecule is disordered over two positions, with site-occupancy factors of ca 0.6 and 0.4.

| S-EPMC2960575 | biostudies-literature

?(3)-Dodeca-tungsto(V,VI)aluminato-?O:O':O''-tris-[aqua-bis-(ethyl-ene-diamine-?N,N')copper(II)].

Project description:The title compound, [AlCu(3)W(12)O(40)(C(2)H(8)N(2))(6)(H(2)O)(3)], was prepared under hydro-thermal conditions. The Cu(2+) ion displays an elongated octa-hedral geometry defined by one bridging O atom from the polyoxidoanion and a coordinated water mol-ecule in axial positions and four N atoms of the two chelating ethyl-enediamine (en) ligands in equatorial positions. The one-electron reduced [AlW(12)O(40)](6-) anion coordinates three [Cu(en)(H(2)O)](2+) fragments, generating a neutral tri-supported Keggin-type polyoxidometalate (POM). This tri-supported POM is located in a special position of [Formula: see text] symmetry and therefore O atoms from the central AlO(4) tetra-hedron are disordered over two sets of sites. Disorder is also observed for three other bridging O atoms of the POM. In the crystal, mol-ecules are connected via N-H?O and O-H?O hydrogen bonds, forming a three-dimensional framework.

| S-EPMC3238692 | biostudies-literature

Tetra-ethyl-ammonium bicarbonate trihydrate.

Project description:In the title compound, C(8)H(20)N(+)·CHO(3) (-)·3H(2)O, the bicarbon-ate anion, which has a small mean deviation from the plane of 0.0014?Å, fully utilises its three O and one H atom to form various O-H?O hydrogen bonds with the three water mol-ecules in the asymmetric unit, generating a hydrogen-bonded layer, which extends along (10[Formula: see text]). The tetra-ethyl-ammonium cations, as the guest species, are accommodated between every two neighboring layers, constructing a sandwich-like structure with an inter-layer distance of 7.28?Å.

| S-EPMC3213447 | 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