Crystal structures of eight mono-methyl alkanes (C-26-C-32) via single-crystal and powder diffraction and DFT-D optimization
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In aqueous solutions under mild conditions, Ru(H2O)(6) was reacted with various water-soluble tertiary phosphines. As determined by multinuclear NMR spectroscopy, reactions with the sulfonated arylphosphines L = mtppms, ptppms and mtppts yielded only ...
After studying more than 100 different samples of calaverite Au1-pAgpTe2 (p 2CO3 resisted any attempt for a precise structural analysis. The appearance of satellite reflections was noted on single crystal diffractograms which led to the generalisation of t ...
A natural shockwave event led to the formation of a new crystalline polymorph of carbon in gneisses from the Popigai crater, Russia. The new species occupies the interior of a multiphase assemblage and is entirely enveloped by lonsdaleite and graphite. Pol ...
The incommensurately modulated structure of K3In(PO4)(2) has been solved and refined. The origin of the modulation relates to the ordering of K cations within the hexagonal close packing of the PO4 anions. The driving forces for the modulation of the other ...
4-benzoylpyridine thiosemicarbazone (H(4)Bz(4)DH) and N(4')-phenyl-4-benzoylpyridine thiosemicarbazone (H4Bz4Ph) were obtained and fully characterized by infrared, UV and NMR spectroscopies. The assignment of the NMR signals was made by using DEPT135 and t ...
Three-dimensional incommensurately modulated cubic lazurite from the Malo-Bystrinskoe deposit (the Baikal region) was studied by the methods of X-ray diffraction analysis. The a parameter of the cubic unit cell is 9.077(1) Angstrom. The calculations perfor ...
We report on a distortion of Bi2Sr2CanCun+1 O6+2n+x (n = 0,1) single crystals, perpendicular to the CuO2 planes (the c-axis), for non-stoichiometric samples containing an excess of Bi. The distortion involves two parts: (a) symmetric displacements in the S ...
The origin of the first sharp diffraction peak (FSDP) in the total structure factor of disordered network-forming glasses and liquids is frequently interpreted either as resulting from crystalline-like layers or from correlations between basic structural u ...
A new cubic Ta-bronze (1) KTa1+z+(5-delta)O3 [z similar or equal to 0.107 (3)] was obtained on a cathode by molten salt electrolysis of the system K2TaOF5-K3TaO2F4-(KF + NaF + LiF)(cutectic). Black, metallic cubic crystals of (1) are formed together with t ...
The ternary sulfide Ag7TaS6 displays high Ag-ion conductivity at ambient temperature, and the framework TaS6 and Ag ions can be respectively regarded as the host structure and guest ions. Two low-temperature phases, i.e. Ag7TaS6 II and Ag7TaS6 III, were fo ...