Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Crystal structure of Ag2(?-SCN)2(NH3)4.

ABSTRACT: Di-?-thio-cyanato-bis-[diamminesilver(I)], [Ag2(?-SCN)2(NH3)4], was synthesized by the reaction of AgSCN with anhydrous liquid ammonia. In the binuclear mol-ecule, the Ag(I) atom is coordinated by two ammine ligands and the S atom of one thio-cyanate ligand. Two of these [Ag(SCN)(NH3)2] units are bridged by the S atoms of the thio-cyanate anions at longer distances, leading to a dimer with point group symmetry C 2. The distance between the Ag(I) atoms in the dimer is at 3.0927?(6)?Å within the range of argentophilic inter-actions. The crystal structure displays N-H?N and N-H?S hydrogen-bonding inter-actions that build up a three-dimensional network.

SUBMITTER: Muller TG

PROVIDER: S-EPMC4992897 | biostudies-other | 2016 Jul

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

Crystal structure of Ag2(μ-SCN)2(NH3)4.

Müller Thomas G TG Kraus Florian F

Acta crystallographica. Section E, Crystallographic communications 20160603 Pt 7

Di-μ-thio-cyanato-bis-[diamminesilver(I)], [Ag2(μ-SCN)2(NH3)4], was synthesized by the reaction of AgSCN with anhydrous liquid ammonia. In the binuclear mol-ecule, the Ag(I) atom is coordinated by two ammine ligands and the S atom of one thio-cyanate ligand. Two of these [Ag(SCN)(NH3)2] units are bridged by the S atoms of the thio-cyanate anions at longer distances, leading to a dimer with point group symmetry C 2. The distance between the Ag(I) atoms in the dimer is at 3.0927 (6) Å within the r ...[more]

PMID: 27555922

Similar Datasets

Crystal structure of [Co(NH3)6][Co(CO)4]2.

Project description:Hexaamminecobalt(II) bis-[tetra-carbonyl-cobaltate(-I)], [Co(NH3)6][Co(CO)4]2, was synthesized by reaction of liquid ammonia with Co2(CO)8. The Co(II) atom is coordinated by six ammine ligands. The resulting polyhedron, the hexa-amminecobalt(II) cation, exhibits point group symmetry -3. The Co(-I) atom is coordinated by four carbonyl ligands, leading to a tetra-carbonyl-cobaltate(-I) anion in the shape of a slightly distorted tetra-hedron, with point group symmetry 3. The crystal structure is related to that of high-pressure BaC2 (space group R-3m), with the [Co(NH3)6](2+) cations replacing the Ba sites and the [Co(CO)4](-) anions replacing the C sites. N-H⋯O hydrogen bonds between cations and anions stabilize the structural set-up in the title compound.

| S-EPMC4645071 | biostudies-literature

Crystal structure of [Ag(NH3)3]2[Ag(NH3)2]2[SnF6]F2, a compound showing argentophilic inter-actions.

Project description:Bis[triamminesilver(I)] bis-[diamminesilver(I)] hexa-fluorido-stannate(IV) difluoride, [Ag(NH3)3]2[Ag(NH3)2]2[SnF6]F2, was obtained in the form of colourless crystals from the reaction of CsAgSnF7 in anhydrous ammonia. Two different ammine complexes of silver(I) are present in the structure, i.e. a linear diammine and a T-shaped triammine complex. The ammine silver(I) complexes show Ag?Ag distances in the range of argentophilic inter-actions. In the crystal, several N-H?F hydrogen bonds are present between the complex cations and the SbF6- and F- anions, leading to the formation of a three-dimensional network.

| S-EPMC5137628 | biostudies-literature

New refinement of the crystal structure of Zn(NH3)2Cl2 at 100?K.

Project description:The crystal structure of [ZnCl2(NH3)2], diamminedi-chlorido-zinc, was re-investigated at low temperature, revealing the positions of the hydrogen atoms and thus a deeper insight into the hydrogen-bonding scheme in the crystal packing. In comparison with previous crystal structure determinations [MacGillavry & Bijvoet (1936 ?). Z. Kristallogr. 94, 249-255; Yamaguchi & Lindqvist (1981 ?). Acta Chem. Scand. 35, 727-728], an improved precision of the structural parameters was achieved. In the crystal, tetra-hedral [Zn(NH3)2Cl2] units (point-group symmetry mm2) are linked through N-H?Cl hydrogen bonds into a three-dimensional network.

| S-EPMC6727043 | biostudies-literature

Growth, structure, phase transition, thermal properties, and structural dynamics of organic–inorganic hybrid [NH3(CH2)5NH3]ZnCl4 crystal

Project description:In this study, the physicochemical properties of [NH3(CH2)5NH3]ZnCl4 crystals were investigated using X-ray diffraction (XRD), Fourier transform infrared spectroscopy, differential scanning calorimetry (DSC), thermogravimetric analysis, and nuclear magnetic resonance (NMR). The crystals at 300 K had a monoclinic structure with C2/c space group and lattice constants are a = 21.4175 Å, b = 7.3574 Å, c = 19.1079 Å, β = 120.5190°, and Z = 8. Three endothermic peaks at 256, 390, and 481 K were observed in the DSC curve. From the single-crystal XRD patterns, powder XRD patterns, and optical microscopy results based on the temperature change, the phase transition and melting temperatures were determined to be 390 and 481 K, respectively. NMR studies indicated no change in 1H chemical shifts, but a change in the chemical shifts for C2, located between C1 and C3 of the cation at 340 K. Increase in molecular motion caused an increase in the spin–lattice relaxation time, T1ρ, at low spinning rates, under magic-angle spinning rate conditions. This crystal showed a minor change in the N−H···Cl hydrogen bond, related to the coordination geometry of the ZnCl4 anion.

| S-EPMC9546903 | biostudies-literature

Synthesis, structure and reactivity of Fe(II/III)-NH3 complexes bearing a tripodal sulfonamido ligand.

Project description:Complexes [M(n)MST(NH3)](n-3) (M(n) = Fe(II), Fe(III), Ga(III)) were prepared and each contains an intramolecular hydrogen bonding network involving the ammonia ligand. Deprotonation of the Fe(III)-NH3 complex afforded a putative [Fe(III)MST(NH2)](-) species whose reactivity has been explored.

| S-EPMC3954711 | biostudies-literature

State-to-State Rate Coefficients for NH3-NH3 Collisions from Pump-Probe Chirped Pulse Experiments.

Project description:The kinetics of rotational inelastic NH3-NH3 collisions are recorded using pump-probe experiments, carried out with a K-band waveguide chirped pulse Fourier transform microwave spectrometer, in which the population of one inversion doublet is altered by the pump pulse. Due to self-collisions, the resulting deviation from equilibrium propagates to other states and, thus, can be interrogated by probe pulses as a function of the pump-probe delay time. A clear hierarchy of the state-to-state collision processes is found and subsequently translated into propensity rules. State-to-state rate coefficients are estimated, first via an analysis of the kinetics, and then more robustly and accurately derived from the pressure-dependent measurements using a global fitting procedure.

| S-EPMC6748673 | biostudies-literature

Aquaporin 4 as a NH3 Channel.

Project description:Ammonia is a biologically potent molecule, and the regulation of ammonia levels in the mammalian body is, therefore, strictly controlled. The molecular paths of ammonia permeation across plasma membranes remain ill-defined, but the structural similarity of water and NH3 has pointed to the aquaporins as putative NH3-permeable pores. Accordingly, a range of aquaporins from mammals, plants, fungi, and protozoans demonstrates ammonia permeability. Aquaporin 4 (AQP4) is highly expressed at perivascular glia end-feet in the mammalian brain and may, with this prominent localization at the blood-brain-interface, participate in the exchange of ammonia, which is required to sustain the glutamate-glutamine cycle. Here we observe that AQP4-expressing Xenopus oocytes display a reflection coefficient <1 for NH4Cl at pH 8.0, at which pH an increased amount of the ammonia occurs in the form of NH3 Taken together with an NH4Cl-mediated intracellular alkalization (or lesser acidification) of AQP4-expressing oocytes, these data suggest that NH3 is able to permeate the pore of AQP4. Exposure to NH4Cl increased the membrane currents to a similar extent in uninjected oocytes and in oocytes expressing AQP4, indicating that the ionic NH4 (+) did not permeate AQP4. Molecular dynamics simulations revealed partial pore permeation events of NH3 but not of NH4 (+) and a reduced energy barrier for NH3 permeation through AQP4 compared with that of a cholesterol-containing lipid bilayer, suggesting AQP4 as a favored transmembrane route for NH3 Our data propose that AQP4 belongs to the growing list of NH3-permeable water channels.

| S-EPMC5009286 | biostudies-literature

Crystal structure of fenpropathrin.

Project description:In the title compound [systematic name: cyano-(3-phen-oxy-phen-yl)methyl 2,2,3,3-tetra-methyl-cyclo-propane-carboxyl-ate], C22H23NO3, which is the pyrethroid insecticide fenpropathrin, the dihedral angle between the cyclo-propane ring plane and the carboxyl-ate group plane is 88.25?(11)°. The dihedral angle between the benzene and phenyl rings in the phen-oxy-benzyl group is 82.99?(4)°. In the crystal, C-H?N hydrogen bonds and weak C-H?? inter-actions link adjacent mol-ecules, forming loop chains along the b-axis direction.

| S-EPMC4257423 | biostudies-literature

Crystal structure of flucetosulfuron.

Project description:The title compound, {systematic name: 1-[3-({[(4,6-di-meth-oxy-pyrimidin-2-yl)carbamo-yl]amino}-sulfon-yl)pyridin-2-yl]-2-fluoro-propyl 2-meth-oxy-acetate}, C18H22FN5O8S, is used as a herbicide (pyrimidinyl-sulfonyl-urea herbicide). The dihedral angle between the mean planes of the pyridine and pyrimidine rings is 86.90?(7)°. In the crystal, N/C-H?O hydrogen bonds, C-H?F and C-H?? inter-actions link adjacent mol-ecules, forming a chain along [020]. A further two C-H?O hydrogen bonds together with weak ?-? inter-actions [ring centroid separation = 3.7584?(12)?Å] further aggregate the structure into a three-dimensional architecture.

| S-EPMC5730291 | biostudies-literature

Crystal structure of fipronil.

Project description:The title compound, C12H4Cl2F6N4OS {systematic name: 5-amino-1-[2,6-di-chloro-4-(tri-fluoro-meth-yl)phen-yl]-4-[(tri-fluoro-methane)sulfinyl]-1H-pyrazole-3-carbo-nitrile}, is a member of the phenyl-pyrazole group of acaricides, and one of the phenyl-pyrazole group of insecticides. The dihedral angle between the planes of the pyrazole and benzene rings is 89.03?(9)°. The fluorine atoms of the tri-fluoro-methyl substituent on the benzene ring are disordered over two sets of sites, with occupancy ratios 0.620?(15):0.380?(15). In the crystal, C-N?? inter-actions [N?ring centroid = 3.607?(4)?Å] together with N-H?N and C-H?F hydrogen bonds form a looped chain structure along [10[Formula: see text]]. Finally, N-H?O hydrogen bonds and C-Cl?? inter-actions [Cl?ring centroid = 3.5159?(16)?Å] generate a three-dimensional structure. Additionally, there are a short inter-molecular F? F contacts present.

| S-EPMC5730297 | 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