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Journal of molecular structure, ISSN 0022-2860, 02/2021, Volume 1226
•The novel schiff base ligand of(a) crystallized in monoclinic system, in centrosymmetric space group P21/cand complex (b) crystallized in triclinic system, in... 
X-ray crystallography | Disc diffusion | Schiff base ligand | Antibacterial activity | Gram negative
Journal Article
Journal of molecular structure, ISSN 0022-2860, 02/2021, Volume 1226
•Complexes of mercury(II) including pyridine dicarboxylic acid derivatives were synthesized and characterized.•A crystallographic study was performed on the... 
One-pot synthesis | Antibacterial effect | Cytotoxicity | Mercury(II) complexes | Pyridine dicarboxylic acid derivatives | Crystallography
Journal Article
Journal of molecular structure, ISSN 0022-2860, 02/2021, Volume 1226
•Highly regioselective synthesis of N-aroyl-1,2,4-triazoles under mild reaction conditions.•Chemical reactivity descriptors for two N-aroyl-1,2,4-triazoles... 
Hirshfeld surface maps | X-ray crystallography | Regioselectivity | Structural energy | DFT quantum-chemical studies | N-aroyl-1,2,4-triazole
Journal Article
Journal of molecular structure, ISSN 0022-2860, 02/2021, Volume 1226
•Five trans-PtII complexes with 5-alkyl-1,3,4-oxadiazol-2-thione derivatives were prepared.•The MS/MS spectra were used to elucidate the possible fragmentation... 
Platinum complexes | 1,3,4-oxadiazole-2(3H)-thione, stereochemistry, NMR and X-ray diffraction crystallography
Journal Article
Journal of molecular structure, ISSN 0022-2860, 02/2021, Volume 1225, p. 128818
The coordination compound calcium D-gluconate, Ca[D-C6H11O7]2(s), was synthesized and characterized by chemical analysis, elemental analysis, and X-ray... 
Calcium D-gluconate | X-ray crystallography | Heat capacity | Physical properties measurement system | Thermodynamic function | Standard molar enthalpy of formation
Journal Article
Journal of molecular structure, ISSN 0022-2860, 02/2021, Volume 1225, p. 129113
•[Cu(thioether)(MeCN)m−1X3]− undergoes intramolecular redox process without cleavage of the C–S bond to produce molecular halogen, X2.•The reduction of Cu(II)... 
X-ray crystallography | Thioether oxidation | UV-Vis spectroscopy titration | Copper(II) halide
Journal Article
Sensors and actuators. B, Chemical, ISSN 0925-4005, 01/2021, Volume 327
A novel AIEE active probe 1 displaying a large stokes shift of 190 nm detects Cu2+ and Zn2+ ions while its nanoaggregates n1selectively detect Cu2+ions up- to-... 
X-ray crystallography | AIEE | Schiff's base | Gut tissue imaging | Nanoaggregates | Recognition
Journal Article
Coordination chemistry reviews, ISSN 0010-8545, 01/2021, Volume 427
[Display omitted] •Development of three-dimensional electron diffraction (3DED) methods.•Ab initio structure determination of MOFs and COFs using 3DED.•Reveal... 
Covalent organic frameworks | Electron crystallography | Crystal structures | Ab initio structure determination | Three-dimensional electron diffraction | Metal-organic frameworks
Journal Article
Inorganica Chimica Acta, ISSN 0020-1693, 01/2021, Volume 514
[Display omitted] •Synthesis of new Zwitterionic ligands derived from N-Heterocyclic Carbenes (NHCs)•Coordination chemistry of Zwitterionic ligands to... 
N-heterocyclic carbene | X-ray crystallography | copper | coordination | Coordination | Copper
Journal Article
Electrocatalysis, ISSN 1868-2529, 09/2021, Volume 11, Issue 5, pp. 536 - 545
Journal Article
Journal of molecular structure, ISSN 0022-2860, 01/2021, Volume 1224, p. 129188
•We report a new mononuclear heteroleptic complex [Sn(HL)2(NCS)2]·0.5MeOH (1·0.5MeOH).•Phenyl(pyridin-2-yl)methylenepicolinohydrazide was used as an organic... 
X-ray crystallography | DFT | IR spectroscopy | Metal chelate | Tin thiocyanate
Journal Article
International journal of fatigue, ISSN 0142-1123, 01/2021, Volume 142
•Mechanistic link between macrozones and dwell fatigue damage is demonstrated based on the aspect ratio of macrozone.•Preference of sub-surface dwell facets is... 
Titanium alloy | Crystal plasticity | Macrozone | Dwell fatigue | Crystallography
Journal Article
Coordination chemistry reviews, ISSN 0010-8545, 01/2021, Volume 426, p. 213537
[Display omitted] •Synthetic methodologies for the synthesis of pyridyl-selenium (py-Se) ligands.•Metal complexes from group 3–15 of the periodic table bearing... 
X-ray crystallography | Metal complexes | Pyridyl-selenium ligands | Coordination chemistry
Journal Article