Browse
Submit Data
Databases
API
Help

Dataset Information

20 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Barium manganese(II) selenostannate(IV), BaMnSnSe(4).

ABSTRACT: The title compound, BaMnSnSe(4), was obtained by reaction of the elements at 1123?K in an evacuated silica tube. It adopts the BaCdSnS(4) structure type, which is a variant of the SrIn(2)Se(4) structure type. Its structure consists of distorted edge-sharing tetra-hedra, alternating with Mn and Sn atoms as central atom. These [MnSnSe(6)] units display corner sharing, forming stacked infinite layers in the ac plane. The three different Ba(2+) atoms are located between the [MnSnSe(6)] layers, two on twofold rotation axes, and exhibit distorted square-antiprismatic coordinations.

SUBMITTER: Assoud A

PROVIDER: S-EPMC3238579 | biostudies-literature | 2011 Dec

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Barium manganese(II) selenostannate(IV), BaMnSnSe(4).

Assoud Abdeljalil A Kuropatwa Bryan A BA Kleinke Holger H

Acta crystallographica. Section E, Structure reports online 20111116 Pt 12

The title compound, BaMnSnSe(4), was obtained by reaction of the elements at 1123 K in an evacuated silica tube. It adopts the BaCdSnS(4) structure type, which is a variant of the SrIn(2)Se(4) structure type. Its structure consists of distorted edge-sharing tetra-hedra, alternating with Mn and Sn atoms as central atom. These [MnSnSe(6)] units display corner sharing, forming stacked infinite layers in the ac plane. The three different Ba(2+) atoms are located between the [MnSnSe(6)] layers, two o ...[more]

PMID: 22199470

Similar Datasets

Manganese(II) octa-uranium(IV) hepta-deca-sulfide.

Project description:Single crystals of manganese(II) octa-uranium(IV) hepta-deca-sulfide, MnU(8)S(17), were grown from the reaction of the elements in a RbCl flux. MnU(8)S(17) crystallizes in the space group C2/m in the CrU(8)S(17) structure type. The asymmetric unit is composed of the following atoms with site symmetries shown: U1 (1), U2 (m), U3 (m), Mn1 (2/m), S1 (1), S2 (1); S3 (m), S4 (m), S5 (m), S6 (m) and S7 (2/m). The three U(IV) atoms are each coordinated by eight S atoms in a bicapped trigonal-prismatic arrangement. The Mn(II) atom is coordinated by six S atoms in a distorted octa-hedral arrangement.

| S-EPMC3200900 | biostudies-other

catena-Poly[[manganese(II)-tris-(?-bet-aine-?O:O')] tetra-bromido-manganate(IV).

Project description:The title compound, [Mn(C(5)H(11)NO(2))(3)]·MnBr(4), contains polymeric cationic chains of distorted MnO(6) octa-hedra and bridging betaine mol-ecules, running parallel to the a axis. There are two distinct Mn(2+) cations in the chain, both with site symmetry . Distorted [MnBr(4)](2-) tetra-hedra occupy the spaces between the chains.

| S-EPMC2959294 | biostudies-literature

A High-Valent Non-Heme ?-Oxo Manganese(IV) Dimer Generated from a Thiolate-Bound Manganese(II) Complex and Dioxygen.

Project description:This study deals with the unprecedented reactivity of dinuclear non-heme MnII -thiolate complexes with O2 , which dependent on the protonation state of the initial MnII dimer selectively generates either a di-?-oxo or ?-oxo-?-hydroxo MnIV complex. Both dimers have been characterized by different techniques including single-crystal X-ray diffraction and mass spectrometry. Oxygenation reactions carried out with labeled 18 O2 unambiguously show that the oxygen atoms present in the MnIV dimers originate from O2 . Based on experimental observations and DFT calculations, evidence is provided that these MnIV species comproportionate with a MnII precursor to yield ?-oxo and/or ?-hydroxo MnIII dimers. Our work highlights the delicate balance of reaction conditions to control the synthesis of non-heme high-valent ?-oxo and ?-hydroxo Mn species from MnII precursors and O2 .

| S-EPMC5531755 | biostudies-literature

A manganese(IV)/iron(IV) intermediate in assembly of the manganese(IV)/iron(III) cofactor of Chlamydia trachomatis ribonucleotide reductase.

Project description:We recently showed that the class Ic ribonucleotide reductase from the human pathogen Chlamydia trachomatis uses a Mn(IV)/Fe(III) cofactor to generate protein and substrate radicals in its catalytic mechanism [Jiang, W., Yun, D., Saleh, L., Barr, E. W., Xing, G., Hoffart, L. M., Maslak, M.-A., Krebs, C., and Bollinger, J. M., Jr. (2007) Science 316, 1188-1191]. Here, we have dissected the mechanism of formation of this novel heterobinuclear redox cofactor from the Mn(II)/Fe(II) cluster and O2. An intermediate with a g = 2 EPR signal that shows hyperfine coupling to both 55Mn and 57Fe accumulates almost quantitatively in a second-order reaction between O2 and the reduced R2 complex. The otherwise slow decay of the intermediate to the active Mn(IV)/Fe(III)-R2 complex is accelerated by the presence of the one-electron reductant, ascorbate, implying that the intermediate is more oxidized than Mn(IV)/Fe(III). Mössbauer spectra show that the intermediate contains a high-spin Fe(IV) center. Its chemical and spectroscopic properties establish that the intermediate is a Mn(IV)/Fe(IV)-R2 complex with an S = 1/2 electronic ground state arising from antiferromagnetic coupling between the Mn(IV) (S(Mn) = 3/2) and high-spin Fe(IV) (S(Fe) = 2) sites.

| S-EPMC2525612 | biostudies-literature

Manganese(IV) oxide production by Acremonium sp. strain KR21-2 and extracellular Mn(II) oxidase activity.

Project description:Ascomycetes that can deposit Mn(III, IV) oxides are widespread in aquatic and soil environments, yet the mechanism(s) involved in Mn oxide deposition remains unclear. A Mn(II)-oxidizing ascomycete, Acremonium sp. strain KR21-2, produced a Mn oxide phase with filamentous nanostructures. X-ray absorption near-edge structure (XANES) spectroscopy showed that the Mn phase was primarily Mn(IV). We purified to homogeneity a laccase-like enzyme with Mn(II) oxidase activity from cultures of strain KR21-2. The purified enzyme oxidized Mn(II) to yield suspended Mn particles; XANES spectra indicated that Mn(II) had been converted to Mn(IV). The pH optimum for Mn(II) oxidation was 7.0, and the apparent half-saturation constant was 0.20 mM. The enzyme oxidized ABTS [2,2'-azinobis(3-ethylbenzothiazoline-6-sulfonic acid)] (pH optimum, 5.5; Km, 1.2 mM) and contained two copper atoms per molecule. Moreover, the N-terminal amino acid sequence (residues 3 to 25) was 61% identical with the corresponding sequence of an Acremonium polyphenol oxidase and 57% identical with that of a Myrothecium bilirubin oxidase. These results provide the first evidence that a fungal multicopper oxidase can convert Mn(II) to Mn(IV) oxide. The present study reinforces the notion of the contribution of multicopper oxidase to microbially mediated precipitation of Mn oxides and suggests that Acremonium sp. strain KR21-2 is a good model for understanding the oxidation of Mn in diverse ascomycetes.

| S-EPMC1610318 | biostudies-literature

Poly[tetra-aqua-di-μ(4)-malonato-barium(II)cadmium(II)].

Project description:In the title complex, [BaCd(C(3)H(2)O(4))(2)(H(2)O)(4)](n), the Ba(II) atoms, located on crystallographic twofold axes, adopt slightly distorted square-anti-prismatic coordination geometries, while the Cd(II) atoms, which lie on crystallographic centres of symmetry, have a distorted octa-hedral coordination. Each malonate dianion binds two different Cd(II) atoms and two different Ba(II) atoms. This connectivity generates alternating layers along [100] in the structure, with one type containing Cd(II) cations and malonate dianions, while the other is primarily composed of Ba(II) ions and coordinated water mol-ecules. The water mol-ecules also participate in extensive O-H⋯O hydrogen bonding.

| S-EPMC3050201 | biostudies-literature

Exceptional Manganese(II) Stability and Manganese(II)/Zinc(II) Selectivity with Rigid Polydentate Ligands.

Project description:While MnII complexes meet increasing interest in biomedical applications, ligands are lacking that enable high MnII complex stability and selectivity vs. ZnII , the most relevant biological competitor. We report here two new bispidine derivatives, which provide rigid and large coordination cavities that perfectly match the size of MnII , yielding eight-coordinate MnII complexes with record stabilities. In contrast, the smaller ZnII ion cannot accommodate all ligand donors, resulting in highly strained and less stable six-coordinate complexes. Combined theoretical and experimental data (X-ray crystallography, potentiometry, relaxometry and 1 H NMR spectroscopy) demonstrate unprecedented selectivity for MnII vs. ZnII (KMnL /KZnL of 108 -1010 ), in sharp contrast to the usual Irving-Williams behavior, and record MnII complex stabilities and inertness with logKMnL close to 25.

| S-EPMC9305554 | biostudies-literature

Bis(chlorido)(dimethyl-sulfoxide-?O)barium(II).

Project description:The title compound, [BaCl(2)(C(2)H(6)SO)], forms a Ba(6)Cl(9) cluster in which the BaCl(2) units are connected via dimethyl-sulfoxide (DMSO) and chloride bridges. The central Cl atom of the Ba(6)Cl(9) cluster is located on a threefold inversion axis and is coordinated octa-hedrally to six barium cations. In the crystal, the clusters are arranged in rows, which are inter-connected by the DMSO mol-ecules, forming a three-dimensional network.

| S-EPMC3515089 | biostudies-other

Poly[tetra-aqua-bis(?(2)-2,4,6-trinitro-phenolato)barium(II)].

Project description:The asymmetric unit of the title compound, [Ba(C(6)H(2)N(3)O(7))(2)(H(2)O)(4)](n), consists of a barium ion coordinated by two nitrophenolate ligands and four water mol-ecules. Barium is deca-coordinated by O atoms. These units are linked together through bridging nitro groups to form a one-dimensional polymeric chain. The three-dimensional packing is facilitated through hydrogen-bonding inter-actions mediated through water mol-ecules. The coordination distances around Ba vary from 2.728?(4) to 3.138?(5)?Å. The crystal sample, on exposure to air at room temperature for many days, slowly loses the water and peels out as filaments.

| S-EPMC2960753 | biostudies-literature

Poly[triaqua-μ(4)-pyridine-3,5-dicarboxyl-ato-barium(II)].

Project description:The reaction of the proton-transfer compound (pdaH(2))(py-3,5-dc)·H(2)O (pda = propane-1,3-diamine and py-3,5-dcH(2) = pyridine-3,5-dicarboxylic acid) with Ba(NO(3))(2) leads to the formation of the title polymeric compound, [Ba(C(7)H(3)NO(4))(H(2)O)(3)](n). The Ba(II) atom is nine-coordinated by six carboxyl-ate O atoms from the (py-3,5-dc)(2-) ligands, and three O atoms from the coordinated water mol-ecules. The coordination polyhedron around the Ba(II) atom is best described as tricapped trigonal-prismatic. In the crystal structure, inter-molecular inter-actions, such as X-H⋯O hydrogen bonds (X = O and C) and π-π stacking [centroid-centroid distances between pyridine rings of 3.6191 (13) and 3.6192 (13) Å] play an important role in stabilizing the supramolecular structure.

| S-EPMC2960421 | 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