Browse
Submit Data
Databases
API
Help

Dataset Information

19 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Hexaaqua-iron(II) bis-[fac-tribromido-tricarbonyl-ferrate(II)].

ABSTRACT: In the title compound, [Fe(H(2)O)(6)][FeBr(3)(CO)(3)](2), both Fe atoms have an octa-hedral coordination and the bromide carbonyl complex has a fac-stereochemistry. The [Fe(H(2)O)(6)](2+) octa-hedron has point symmetry and is slightly compressed along one O-Fe-O axis. The [FeBr(3)(CO)(3)](-) anion has point symmetry 1 and mean bond lengths of Fe-Br = 2.455?(5)?Å and Fe-C = 1.809?(2)?Å. The cation and anion complexes are mutually linked via O-H?Br hydrogen bonds with O?Br distances of 3.340?(3) to 3.388?(3)?Å.

SUBMITTER: Becker E

PROVIDER: S-EPMC2970480 | biostudies-literature | 2009 Sep

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Hexaaqua-iron(II) bis-[fac-tribromido-tricarbonyl-ferrate(II)].

Becker Eva E Kirchner Karl K Mereiter Kurt K

Acta crystallographica. Section E, Structure reports online 20090912 Pt 10

In the title compound, [Fe(H(2)O)(6)][FeBr(3)(CO)(3)](2), both Fe atoms have an octa-hedral coordination and the bromide carbonyl complex has a fac-stereochemistry. The [Fe(H(2)O)(6)](2+) octa-hedron has point symmetry and is slightly compressed along one O-Fe-O axis. The [FeBr(3)(CO)(3)](-) anion has point symmetry 1 and mean bond lengths of Fe-Br = 2.455 (5) Å and Fe-C = 1.809 (2) Å. The cation and anion complexes are mutually linked via O-H⋯Br hydrogen bonds with O⋯Br distances of 3.340 (3) t ...[more]

PMID: 21577693

Similar Datasets

fac-Bis(acetonitrile-?N)tricarbonyl-(trifluoro-acetato-?O)rhenium(I).

Project description:In the title compound, [Re(CF(3)COO)(CH(3)CN)(2)(CO)(3)], the Re atom has a distorted octa-hedral configuration. The two acetonitrile mol-ecules and two of the three carbonyl groups occupy the equatorial plane of the complex, with the third carbonyl ligand and the trifluoroacetato ligand in the axial positions. The three carbonyl ligands are arranged in a fac configuration around the Re atom. The CF(3) segment of the trifluoroacetato ligand shows rotational disorder and the refined site-occupancy factors of the disordered parts are ca 0.5/0.5. The crystal structure is stabilized by C-H?O and C-H?F hydrogen bonds.

| S-EPMC2959409 | biostudies-literature

Hexaaqua-magnesium(II) bis-(pyridinium-2,6-dicarboxyl-ate).

Project description:In the title compound, [Mg(H(2)O)(6)](C(7)H(4)NO(4))(2), a single six-coordinate Mg(2+) cation (site symmetry 2/m) is bonded to six water mol-ecules in a distorted octa-hedral geometry. The crystal packing between the complex cation and the zwitterionic organic cation (m symmetry) is stabilized by inter-molecular O-H?O hydrogen bonds and weak inter-molecular C-H?O inter-actions.

| S-EPMC3011450 | biostudies-literature

Hexaaqua-magnesium(II) bis-(d-camphor-10-sulfonate).

Project description:The structure of the title complex, [Mg(H(2)O)(6)](C(10)H(15)O(4)S)(2), consists of regular octa-hedral [Mg(H(2)O)(6)](2+) cations and d-camphor-10-sulfonate anions. A three-dimensional supra-molecular architecture is formed via hydrogen-bond inter-actions [O-H?O = 2.723?(2)-2.833?(2)?Å] to give alternating layers of [Mg(H(2)O)(6)](2+) cations and d-camphor-10-sulfonate anions. The title compound is isomorphous with the zinc, copper, cadmium and nickel analogues.

| S-EPMC2961654 | biostudies-literature

Hexaaqua-zinc(II) bis-(4-hydroxy-benzene-sulfonate) dihydrate.

Project description:In the crystal structure of the title compound, [Zn(H(2)O)(6)](C(6)H(5)O(4)S)(2)·2H(2)O, the Zn(II) atom lies on a center of inversion. The complex cation inter-acts with the anion and uncoord-inated water mol-ecules by O-H?O hydrogen bonds, generating a three-dimensional network. The anion is disordered over two equal positions along the hydr-oxy-sulfonate C-C axis.

| S-EPMC2971186 | biostudies-literature

?(4)-Sulfido-bis-{(?-2-furyl-methane-thiol-ato)bis-[tricarbonyl-iron](Fe-Fe)}.

Project description:The title compound, [Fe(4)(C(5)H(5)OS)(2)S(CO)(12)], was prepared by the direct reaction of Fe(3)(CO)(12) and 2-furyl-methane-thiol in tetra-hydro-furan. Desulfurization took place readily to form an Fe(4)S(3) cluster. The mol-ecule consists of two similar [(?-2-C(4)H(3)O-CH(2)S)Fe(2)(CO)(6)] moieties joined to a spiro-type four-coordinate ?(4)-S atom such that this bridging sulfur is tetra-hedrally coordinated to the four Fe atoms. In each diiron subcluster core, the 2-furyl-methane-thiol-ate ligand bridges the two Fe atoms.

| S-EPMC3007034 | biostudies-literature

Tricarbonyl-bis-(1,3-diisopropyl-4,5-dimethyl-imidazol-2-yl-idene)iron.

Project description:In the title compound, [Fe(C11H20N2)2(CO)3], the Fe atom shows a distorted trigonal-bipyramidal geometry with three carbonyl and two carbene ligands. The latter have a cis arrangement, with a C-Fe-C angle of 90.60?(7)°. The Fe atom lies 0.007?(1)?Å above the basal plane defined by two carbonyl and one carbene C atoms. The mol-ecular structure is closely related to that of the isomolecular but not isotypic Ru complex with an identical cis arrangement, so, in general, bond geometries lie in expected ranges. In the crystal, C-H?O hydrogen bonds link the mol-ecules into infinite zigzag chains extending along [010].

| S-EPMC3588795 | biostudies-literature

Hexaaqua-cobalt(II) bis-(4-amino-3-methyl-benzene-sulfonate).

Project description:In the title mol-ecular salt, [Co(H(2)O)(6)](C(7)H(8)NO(3)S)(2), the Co(2+) cation lies on an inversion centre. In the crystal, the components are linked by N-H?O and O-H?O hydrogen bonds, thereby generating sheets parallel to (001).

| S-EPMC2972163 | biostudies-literature

Hexaaqua-zinc(II) dichloride bis-(hexa-methyl-enetetramine) tetra-hydrate.

Project description:The title compound, [Zn(H(2)O)(6)]Cl(2)·2C(6)H(12)N(4)·4H(2)O, has been prepared under mild hydro-thermal conditions. The Zn(II) atom, located on a centre of symmetry, is coordinated by six water mol-ecules in a distorted octa-hedral coordination geometry. The hexa-methyl-enetetra-mine mol-ecule is not coordinated to Zn(II) but links the Zn complexes via three O-H?N hydrogen bonds. The remaining N atom of the hexa-methyl-enetetra-mine mol-ecule is hydrogen-bonded to a solvent water mol-ecule. In the crystal structure, inter-molecular O-H?O, O-H?N and O-H?Cl hydrogen bonds link the components into a three-dimensional network.

| S-EPMC2960671 | biostudies-literature

Hexaaqua-cobalt(II) bis-(2,2'-sulfanediyldiacetato-κO,S,O')cobaltate(II) tetra-hydrate.

Project description:The two Co(II) atoms in the title salt, [Co(H(2)O)(6)][Co(C(4)H(4)O(4)S)(2)]·4H(2)O, exist in an octa-hedral coordination environment. In the cation, the Co atom is surrounded by six water mol-ecules, and in the anion, it is bis-O,S,O'-chelated by the thio-acetate ligands. The cations, anions and uncoordinated water mol-ecules are linked by O-H⋯O hydrogen bonds into a three-dimensional network.

| S-EPMC3246949 | biostudies-literature

Hexaaqua-zinc(II) bis-[4-(2-hydroxy-benzyl-ideneamino)benzene-sulfonate].

Project description:In the title compound, [Zn(H(2)O)(6)](C(13)H(10)NO(4)S)(2), a distorted ZnO(6) octa-hedron results from the coordination by the six water mol-ecules. Only three of the water molecules are crystallographically unique, as the Zn atom lies on an inversion center. The Zn-O bond lengths are in the range 2.054?(4)-2.073?(4)?Å. A network of hydrogen bonds helps to establish the crystal packing.

| S-EPMC2960324 | 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