Browse
Submit Data
Databases
API
Help

Dataset Information

22 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

μ-Oxido-bis-[bis-(phenanthroline-κN,N')(sulfato-κO)iron(III)] octa-hydrate.

ABSTRACT: The title complex, [Fe(2)O(SO(4))(2)(C(12)H(8)N(2))(4)]·8H(2)O, contains two unique Fe(III) cations, one oxide anion, four 1,10-phenanthroline (phen) ligands, two coordinated sulfate anions and eight lattice water mol-ecules. Each Fe(III) ion has an approximate octa-hedral geometry, coordinated by four N atoms from two phen mol-ecules, two O atoms from oxide and sulfate anions, respectively. The parallel phen mol-ecules form two-dimensional supermolecules through π-π stacking inter-actions [centroid-centroid distances = 3.684 (3), 3.711 (3), 3.790 (3), 3.847 (3), 3.746 (3), 3.732 (3) and 3.729 (3) Å]. This architecture is further stabilized by O-H⋯O hydrogen bonds involving the lattice water mol-ecules and sulfate O atoms.

SUBMITTER: Zhang J

PROVIDER: S-EPMC3246986 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

Tri-μ-sulfato-κO:O'-bis-[aqua-(1,10-phenanthroline-κN,N')indium(III)] dihydrate.

Project description:In the title dinuclear In(III) compound, [In(2)(SO(4))(3)(C(12)H(8)N(2))(2)(H(2)O)(2)]·2H(2)O, each In(III) cation is coordinated by a 1,10-phenanthroline (phen) ligand, a water mol-ecule and three sulfate O atoms in a distorted InN(2)O(4) octa-hedral geometry. Three sulfate anions bridge two In(III) cations, forming the dinuclear entities. O-H⋯O and weak C-H⋯O hydrogen bonding is observed in the crystal structure. The crystal structure is further consolidated by π-π stacking between nearly parallel phen ring systems [dihedral angle = 4.2 (4)°], the centroid-centroid distance between benzene rings of adjacent phen ligands being 3.528 (9) Å.

| S-EPMC2983182 | biostudies-literature

μ-Aqua-bis-(μ-4-methyl-benzoato-κO:O')bis-[(4-methyl-benzoato-κO)(1,10-phenanthroline-κN,N')iron(II)].

Project description:In the title binuclear complex, [Fe(2)(C(8)H(7)O(2))(4)(C(12)H(8)N(2))(2)(H(2)O)], the Fe(II) ion is six-coordinated by three carboxylate O atoms from three 4-methyl-benzoate ligands, two N atoms from two 1,10-phenanthroline ligands and one bridging aqua ligand in a distorted octa-hedral geometry. The coordinated water mol-ecule acting as the bridging ligand is located on a twofold axes and the complex mol-ecule displays C(2) mol-ecular symmetry. The Fe⋯Fe separation in the binuclear complex is 3.490 (3) Å. The crystal structure is stabilized by hydrogen bonding and π-π stacking inter-actions [the centroid-centroid distance between adjacent 1,10-phenanthroline ring systems is 3.653 (2) Å, and that between the 1,10-phenanthroline ring system and the phenyl ring of the 4-methyl-benzoate unit of a neighbouring complex is 3.622 (3) Å].

| S-EPMC2961397 | biostudies-literature

Tris(1,10-phenanthroline-κN,N')iron(II) μ-oxido-bis[trichloridoferrate(III)] ethanol hemisolvate.

Project description:The title compound, [Fe(C(12)H(8)N(2))(3)][Fe(2)Cl(6)O]·0.5CH(3)CH(2)OH, consists of one [Fe(phen)(3)](2+) cation (phen = 1,10-phen-anthroline), one [Fe(2)Cl(6)O](2-) anion and one half-mol-ecule of ethanol. In the cation, the Fe(II) atom is coordinated by six N atoms from three phen ligands in a distorted octa-hedral geometry. In the bent anion, two Fe(III) atoms are connected by a bridging oxide O atom [bridging angle = 160.6 (4)°], and each Fe(III) atom is also coordinated by three Cl atoms, completing a distorted tetra-hedral geometry.

| S-EPMC2959834 | biostudies-literature

(Formato-κO)bis-(1,10-phenanthroline-κN,N')copper(II) formate hexa-hydrate.

Project description:In the title compound, [Cu(CHO(2))(C(12)H(8)N(2))(2)]CHO(2)·6H(2)O, the Cu atom is coordinated in a distorted trigonal-bipyramidal fashion by an O atom of the formate ligand and four N atoms of two phenanthroline ligands with Cu-O and Cu-N distances of 2.020 (3) and 1.978 (3)-2.177 (3) Å, respectively. Hydrogen bonding O-H⋯O between water molecules and between water anions as well as π-π inter-actions [centroid-centroid distances between phen rings = 3.38 (7) and 3.40 (5) Å] are responsible for the supra-molecular assembly.

| S-EPMC2960151 | biostudies-literature

(Heptanedioato-κO,O')bis-(1,10-phenanthroline-κN,N')zinc(II) hexa-hydrate.

Project description:In the crystal structure of the title compound, [Zn(C(7)H(10)O(4))(C(12)H(8)N(2))(2)]·6H(2)O, the Zn(II) atom is coordinated by two carboxyl-ate O atoms of a mono-bidentate chelating pimelate anion (pimelic acid is hepta-nedioic acid) and four N atoms of two phenanthroline ligands, forming a considerably distorted octa-hedral ZnN(4)O(2) coordination geometry. The complexes are assembled into a three-dimensional network via C-H⋯O, C-H⋯π and π-π inter-actions. The mean inter-planar distance between adjacent phenanthroline ligands is 3.399 (2) Å.

| S-EPMC2961045 | biostudies-literature

Triaqua-(1,10-phenanthroline-κN,N')(sulfato-κO)zinc(II).

Project description:The Zn(II) atom in the title compound, [Zn(SO(4))(C(12)H(8)N(2))(H(2)O)(3)], is coordinated by one O atom from a sulfate dianion, two N atoms from a 1,10-phenanthroline mol-ecule and three water O atoms in an octa-hedral geometry. An intra-molecular O-H⋯O hydrogen bond occurs. Inter-molecular O-H⋯O hydrogen bonds generate a layer structure parallel to (001). There are weak C-H⋯O inter-actions within the layers.

| S-EPMC3051486 | biostudies-literature

catena-Poly[[[bis-(1,10-phenanthroline-κN,N')manganese(II)]-μ-9,10-dioxo-anthracene-1,5-disulfonato-κO:O] tetra-hydrate].

Project description:The title complex, {[Mn(C(14)H(6)O(8)S(2))(C(12)H(8)N(2))(2)]·4H(2)O}(n), exhibits a chain-like polymeric structure with 9,10-dioxo-anthracene-1,5-disulfonate anions bridging Mn(II) atoms in a bis-monodentate mode. The unique Mn(II) atom is located on a crystallographic centre of inversion. Four N atoms from two chelating 1,10-phenanthroline ligands and two sulfonate O atoms from two symmetry-related 9,10-dioxoanthracene-1,5-disulfonate anions give rise to a slightly distorted octa-hedral coordination environment around the Mn(II) centre. The centroid of the central ring of the anthraquinone ligand represents another crystallographic centre of inversion. In the crystal structure, inter-ligand π-π stacking [centroid-to-centroid distances 3.532 (1) and 3.497 (3) Å] and inter-molecular O-H⋯O hydrogen-bonding inter-actions assemble the chains into a three-dimensional supra-molecular network.

| S-EPMC2969754 | biostudies-literature

Hexa-μ(2)-acetato-κO:O'-(azido-κN)bis-(methanol-κO)-μ(3)-oxido-trichromium(III) methanol monosolvate.

Project description:In the crystal structure of the title complex, [Cr(3)(CH(3)CO(2))(6)(N(3))O(CH(3)OH)(2)]·CH(3)OH, the trinuclear core has a central O atom; two methanol mol-ecules and an azide ion are coordinated to the Cr(III) atoms in the core. The three Cr(III) atoms form vertices of a nearly equilateral triangle. Each of the six acetate carboxyl-ate groups bridges a Cr-O-Cr fragment. In the crystal, the molecules inter-act with methanol solvent mol-ecules through O-H⋯O and O-H⋯N hydrogen bonds, forming a two-dimensional hydrogen-bonded network parallel to (100).

| S-EPMC3246918 | biostudies-literature

Octa-methyl-bis-(μ(2)-2-methyl-benzoato-κO:O')bis-(2-methyl-benzoato-κO)di-μ(3)-oxido-tetra-tin(IV).

Project description:The title compound, [Sn(4)(CH(3))(8)(C(8)H(7)O(2))(4)O(2)], is a distann-oxane derivative of 2-methyl-benzoic acid. The crystal structure is composed of centrosymmetric dimers lying about inversion centres. Both independent Sn atoms adopt distorted trigonal-bipyramidal SnC(2)O(3) coordination geometries with the basal planes consisting of two C-atoms from the methyl groups and a bridging O atom. The Sn-C and Sn-O bond lengths lie in the ranges 2.090 (2)-2.104 (3) and 2.0241 (14)-2.2561 (15) Å, respectively. The central four-membered planar Sn(2)O(2) ring [Sn⋯Sn distance = 3.2993 (2) Å] makes dihedral angles of 5.43 (11) and 59.50 (7)° with the methyl-phenyl groups, which are themselves oriented at a dihedral angle of 61.38 (8)°. Besides weak C-H⋯O and C-H⋯π inter-actions, the packing mainly features van der Waals forces between the mol-ecules.

| S-EPMC2983126 | biostudies-literature

catena-Poly[[[tetra-kis-(4-methyl-pyridine-κN)copper(II)]-μ-sulfato-κO:O'] 4.393-hydrate].

Project description:The structure of the title compound, {[Cu(SO(4))(C(6)H(7)N)(4)]·4.393H(2)O}(n), consists of Cu(2+) ions surrounded in a square-planar fashion by 4-methyl-pyridine ligands, forming two crystallographically independent Cu{H(3)C(C(5)H(4)N)}(4) units that are both located on crystallographic inversion centers. The Cu(4-methyl-pyridine)(4) units are, in turn, connected with each other via bridging sulfate anions, leading to the formation of infinite [Cu{H(3)C(C(5)H(4)N)}(4)SO(4)](n) zigzag chains along [001]. The completed coordination spheres of the Cu(2+) ions are slightly distorted octa-hedral. The axial Cu-O bonds are elongated [average length = 2.42 (4) Å] compared to the equatorial Cu-N bonds [average length = 2.043 (2) Å]. The inter-stitial space between the chains is filled with uncoordinated water mol-ecules that consolidate the structure through O-H⋯O hydrogen bonding. One of the five crystallographically independent solvent water mol-ecules is partially occupied with an occupancy factor of 0.396 (4). Due to hydrogen bonding between symmetry-equivalent water mol-ecules across inversion centers, several of the water H atoms are disordered in 1:1 ratios over mutually exclusive positions. The crystal under investigation was found to be non-merohedrally twinned in a 0.789 (1):0.211 (1) ratio by a 180° rotation around the reciprocal b axis.

| S-EPMC3051987 | 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