Rhodium(i) acetylacetonato complexes of the formula [Rh(acac)(CO)(PR(3))] [acac = acetylacetonate, PR(3) PPh(3) 1, PCyPh(2) 2, PCy(2)Ph 3, PCy(3) 4] were synthesized and iodomethane oxidative addition to these studied. Spectroscopic low temperature (100 K) single crystal X-ray crystallographic data rhodium (1-4) indicate a systematic increase in both steric electronic parameters phosphine ligands as phenyl groups on tertiary are progressively replaced by cyclohexyl series. Second order rate...

Abstract The development in crystallography is nothing short of phenomenal, showing an ever increasing trend towards applications, such as molecular biology. 'Traditional' small molecule chemical tends to, many aspects, be considered trivial due to the exponential growth computing power and parallel expansion software. However, dynamic processes (still) occur at level. Thus, fundamental understanding subtle nuances structural behaviour, associated influence on other (kinetic) properties,...

Metal-based complexes with their unique chemical properties, including multiple oxidation states, radio-nuclear capabilities and various coordination geometries yield value as potential pharmaceuticals. Understanding the interactions between metals biological systems will prove key for site-specific of new metal-based lead compounds. This study merges concepts target fragment-based drug methodologies, supported by varying anomalous scattering rhenium along infrared spectroscopy, has...

A series of fac-[Re(N,O′-Bid)(CO)3(L)] (N,O′-Bid = monoanionic bidentate Schiff-base ligands with N,O donor atoms; L neutral monodentate ligand) has been synthesized, and the methanol substitution reactions have investigated. The complexes were characterized by NMR, IR, UV–vis spectroscopy. X-ray crystal structures compounds fac-[Re(Sal-mTol)(CO)3(HOCH3)], fac-[Re(Sal-pTol)(CO)3(HOCH3)], fac-[Re(Sal-Ph)(CO)3(HOCH3)], fac-[Re(Sal-Ph)(CO)3(Py)] (Sal-mTol 2-(m-tolyliminomethyl)phenolato;...

The rare observation of transient Rh···Rh excimer formation in a single crystal is reported. estimated excited-state lifetime at 100 K 2 ns, which makes it the shortest-lived small-molecule species caught experimentally using laser-pump/X-ray-probe time-resolved Laue method. Upon excitation with 390 nm laser light, intermolecular distance decreases from 3.379(4) to 3.19(1) Å, and metal–metal contact gains more bonding character. On basis experimental results theoretical modeling, structural...

An innovated system is described which integrates data from heterogeneous multimedia domains. This general-purpose framework uses the concept of a 'mediator' to efficiently support reasoning. The Media Abstraction Creation System (MACS) implements algorithms for creating or querying media abstractions, relaxing queries, and allowing incremental query modifications. We have also developed an integrated within can be queried even when those queries need access other (nonmedia) background...

A range of N,O-donor atom salicylidene complexes the type fac-[M(O,N-Bid)(CO)3(L)]n (O,N-Bid = anionic N,O-bidentate ligands; L neutral coordinated ligand) have been studied. The unique feature which crystallize in a monoclinic isostructural space group for containing methanol sixth position (L MeOH) is highlighted. reactivity and stability were evaluated by rapid stopped-flow techniques, substitution pyridine ligands indicates significant activation N,O-salicylidene bidentate as observed...

This work entails deep red emitting Eu^III based complexes with a variety of ternary β-diketonate ligands and 1,10-phenanthroline as the ancillary ligand in system.

Abstract Direct mixing (de novo) and Solvent Assisted Ligand Exchange (SALE) are the main methods used for synthesis of Mixed-Linker Zeolitic Imidazolate Frameworks (ML-ZIFs). ML-ZIFs with combined –NO 2 –Br/–Cl functionalities were prepared via both synthetic routes. Thereafter CO uptake compared, as well their abilities to fixate epoxide substrates. The de novo resulted in SOD topologies, 60: 40 (–NO : –Br/–Cl) functionality ratios, higher porosities, better thermal stability than...

Multiple possibilities for the coordination of fac -[Re(CO) 3 (H 2 O) ] + to a protein have been determined and include binding Asp, Glu, Arg His amino-acid residues as well C-terminal carboxylate in vicinity Leu Pro. The large number rhenium metal complex sites that identified on specific thereby allow increased target identification design future radiopharmaceuticals. core experimental concept involved use state-of-art tuneable synchrotron radiation at Diamond Light Source optimize...

Two rhenium(I) complexes of the form fac-[Re(L–L′)(CO)3(S)] were synthesized (L–L′ = N–O salen-type bidentate ligand, S coordinating methanol or pyridine) and crystal structures fac-[tricarbonylmethanol-(2-(3-methylbutyliminomethyl)phenolato)rhenium(I)] fac-[tricarbonyl-(2-(3-methylbutyliminomethyl)phenolato)pyridinerhenium(I)] are reported. The influence neutral monodentate ligand in these fac-[tricarbonyl(N,O-salen)rhenium(I)] was investigated both solid state at theoretical level using...

Multinuclear complexes or clusters are rarely investigated in medicinal inorganic chemistry although they represent structural intermediates between molecules and nanomaterials. We present this report two strategies towards 99m Tc-containing clusters. In a pre-assembly approach, the preformed but incomplete cluster fragment [Re3 (μ2 -OH)3 (μ3 -OH)(CO)9 ]- reacts with [99m Tc(CO)3 ]+ to highly stable TcRe3 -OH)4 (CO)12 ] cube. The same structure self-assembles when reacting mononuclear Re Tc...

The fact that a protein crystal can serve as chemical reaction vessel is intrinsically fascinating. That it produce an electron-dense tetranuclear rhenium cluster compound from tricarbonyl tribromo starting adds to the fascination. Such has been synthesized previously in vitro , where formed under basic conditions. Therefore, its synthesis grown at pH 4.5 even more unexpected. X-ray structures presented here are for hen egg-white lysozyme incubated with periods of one and two years. These...

Interoperability of crystallographic data with other disciplines is essential for the smooth and rapid progress structure-based science in computer age. Within crystallography closely related subject areas, there already a high level conformance to generally accepted FAIR principles (that be findable, accessible, interoperable reusable) through adoption common information exchange protocols by databases, publishers, instrument vendors, experimental facilities software authors. Driven success...

The retention of the covalent binding an organometalllic rhenium complex to a protein at physiological body temperature (37 °C) is described and compared related 100 K crystal structure.

Luminescent gallium(III) complexes featuring 5,7-dimethyl-8-hydroxyquinoline (DimOx) are systematically compared and their structural features correlated with photophysical properties. The two chemically identical; however, contain various number of solvent molecules in the crystalline lattice which is representative bulk material confirmed by both nuclear magnetic resonance elemental analysis. Detailed comparisons highlight effect have on intra- intermolecular interactions. A distinct...

Designed bifunctional chelators for the radionuclides of^188/186Re or^99mTc. Structure, DFT calculations, antitumor and imaging properties are described.

In the title compound, [ReBr(C(27)H(27)NP(2))(CO)(3)], Re(I) atom is octa-hedrally surrounded by three carbonyl ligands in a facial arrangement, bromide ligand and P,P'-bidentate Bis(diphenyl-phosphino)propyl-amine. The compound exhibits substitutional disorder of axial ligand, with almost 50% occupancy for both Br amd CO [0.538 (4) 0.462 (4), respectively]. addition, propyl chain on N bidentate 0.648 (9):0.352 (9) disorder. C-H⋯O C-H⋯Br hydrogen bonding consolidates crystal packing.