Synthetic B-rich olenite: Correlations of single-crystal structural data

2012 ◽  
Vol 97 (10) ◽  
pp. 1591-1597 ◽  
Author(s):  
A. Ertl ◽  
G. Giester ◽  
T. Ludwig ◽  
H.-P. Meyer ◽  
G. R. Rossman
Keyword(s):  
Single Crystal ◽  
Structural Data ◽  
Crystal Structural Data ◽  
Crystal Structural

Notizen: Einkristall-Strukturdaten einiger Fluoride und Cyanide A2IBIMIIIX6 der Elpasolithfamilie / Single Crystal Structural Data of Some Fluorides and Cyanides A2IBIMIIIX6 of the Elpasolite Family

1975 ◽  
Vol 30 (5-6) ◽  
pp. 462-464 ◽  
Author(s):  
R. Haegele ◽  
W. Verscharen ◽  
D. Babel
Keyword(s):  
Single Crystal ◽  
Structural Data ◽  
Space Group ◽  
X Ray ◽  
Lattice Constants ◽  
Structure Determinations ◽  
Crystal Structural Data ◽  
Crystal Structural

The parameters of complete X-ray structure determinations are given for the fluoridesRb2NaFeF6 and Rb2KFeF6 (cubic), Cs2NaCrF6 and Cs2NaFeF6 (hexagonal-rhom-bohedral) and Cs2LiGaF6 (hexagonal). Space group and lattice constants of the monoclinic cyanides Cs2BFe(CN)6 (B = Na, K, Rb) are reported as well.

Estimation of polyhedral compressibilities and structural evolution of GdFeO3-type perovskites at high pressures

2006 ◽  
Vol 62 (3) ◽  
pp. 431-439 ◽  
Author(s):  
J. Zhao ◽  
N. L. Ross ◽  
R. J. Angel
Keyword(s):  
High Pressure ◽  
Single Crystal ◽  
High Pressures ◽  
Structural Evolution ◽  
Structural Data ◽  
New Approach ◽  
Cell Parameters ◽  
Pressure Unit ◽  
Crystal Structural Data ◽  
Crystal Structural

A new approach based on the bond-valence matching relation is developed to predict the detailed structural evolution of GdFeO3-type perovskites at high pressure from knowledge of the room-pressure structure and the high-pressure unit-cell parameters alone. The evolution of perovskite structures estimated in this way is in good agreement with the structure refinements available from high-pressure single-crystal diffraction measurements of a number of perovskites. The method is then extended to predict the structure of MgSiO3 perovskite at pressures for which no single-crystal structural data are available and the results are compared to ab initio quantum calculations of MgSiO3 perovskite up to 120 GPa.

Group 7 ‘organohydrazide’ chemistry: classification of ligand type based on crystal structural data

1997 ◽  
pp. 3189-3192 ◽  
Author(s):  
Melissa Hirsch-Kuchma ◽  
Terrence Nicholson ◽  
Alan Davison ◽  
Alun G. Jones
Keyword(s):  
Structural Data ◽  
Ligand Type ◽  
Crystal Structural Data ◽  
Crystal Structural

scholarly journals Erdmann’s Anion—An Inexpensive and Useful Species for the Crystallization of Illicit Drugs after Street Confiscations

Chemistry ◽  
2021 ◽  
Vol 3 (2) ◽  
pp. 598-611
Author(s):  
Matthew R. Wood ◽  
Sandra Mikhael ◽  
Ivan Bernal ◽  
Roger A. Lalancette
Keyword(s):  
Illicit Drugs ◽  
Structural Data ◽  
Protonated Form ◽  
Street Drugs ◽  
Thermally Induced ◽  
Space Groups ◽  
Two Temperatures ◽  
Crystal Structural Data ◽  
Crystal Structural ◽  
Diffraction Patterns

Erdmann’s anion [1,6-diammino tetranitrocobaltate(III)] is useful in the isolation and crystallization of recently confiscated street drugs needing to be identified and catalogued. The protonated form of such drugs forms excellent crystals with that anion; moreover, Erdmann’s salts are considerably less expensive than the classically used AuCl4− anion to isolate them, while preparation of high-quality crystals is equally easy in both cases. We describe the preparation and structures of the K+CoH6N6O8− and NH4+CoH6N7O8−, salts of Erdmann’s. In addition, herein are described the preparations of this anion’s salts with cocaine (C17H28CoN7O12), with methamphetamine (C10H22CoN7O8), and with methylone (C22H34CoN8O14), whose preparation and stereochemistry had been characterized by the old AuCl4− salts methodology. For all species in this report, the space groups and cell constants were determined at 296 and 100 K, looking for possible thermally induced polymorphism—none was found. Since the structures were essentially identical at the two temperatures studied, we discuss only the 100 K results. Complete spheres of data accessible to a Bruker ApexII diffractometer with Cu–Kα radiation, λ = 1.54178 Å, were recorded and used in the refinements. Using the refined single crystal structural data for the street drugs, we computed their X-ray powder diffraction patterns, which are beneficial as quick identification standards in law enforcement work.

THEORETICAL STUDIES ON THE EPR g FACTORS FOR Dy3+ IN YBa2Cu3O6

2007 ◽  
Vol 21 (18n19) ◽  
pp. 3171-3173
Author(s):  
HUI-NING DONG ◽  
SHAO-YI WU ◽  
JUE WANG
Keyword(s):  
Exchange Interactions ◽  
Structural Data ◽  
Spin Lattice Relaxation ◽  
Tetragonal Symmetry ◽  
Oxide Superconductors ◽  
High Tc ◽  
High Tc Superconductor ◽  
Crystal Structural Data ◽  
Crystal Structural ◽  
G Factors

In the past years, the typical high Tc superconductor YBa 2 Cu 3 O 6 has been extensively studied by many authors. And electron paramagnetic resonance (EPR) studies of rare-earth ( Re 3+) ions in high- Tc oxide superconductors have attracted much interest because they can provide valuable information on spin-lattice relaxation, exchange interactions and the ground state properties of Re 3+ ions, which are further employed as sensitive probes of spin dynamics in high- Tc superconductor. The EPR anisotropic g factors of Dy 3+ in YBa 2 Cu 3 O 6 crystal has been measured by M.R. Gafurov et al., and there is no theoretical explanations related to the crystal structural data. In this paper, parameters g factors for Dy 3+ in YBa 2 Cu 3 O 6 are theoretically studied from the perturbation formulas of these parameters for a 4f9 ion in tetragonal symmetry. In these formulas, the contributions to the EPR parameters from the second-order perturbation terms and the admixtures of various excited states are taken into account. The related crystal-field parameters are determined from the superposition model and crystal structural data. The theoretical results show reasonable agreement with the experimental values.

Synthesis, antiviral activity, preliminary pharmacokinetics and structural parameters of thiazolide amine salts

2021 ◽  
Vol 13 (20) ◽  
pp. 1731-1741 ◽  
Author(s):  
Andrew V Stachulski ◽  
Jean-Francois Rossignol ◽  
Sophie Pate ◽  
Joshua Taujanskas ◽  
Craig M Robertson ◽  
...  
Keyword(s):  
Antiviral Activity ◽  
Influenza A ◽  
Structural Parameters ◽  
Aqueous Solubility ◽  
Structural Data ◽  
Crystal Structural Data ◽  
Crystal Structural ◽  
Safety Indices ◽  
Amine Salts

Background: The thiazolides, typified by nitazoxanide, are an important class of anti-infective agents. A significant problem with nitazoxanide and its active circulating metabolite tizoxanide is their poor solubility. Results: We report the preparation and evaluation of a series of amine salts of tizoxanide and the corresponding 5-Cl thiazolide. These salts demonstrated improved aqueous solubility and absorption, as shown by physicochemical and in vivo measurements. They combine antiviral activity against influenza A virus with excellent cell safety indices. We also report the x-ray crystal structural data of the ethanolamine salt. Conclusion: The ethanol salt of thiazolide retains the activity of the parent together with an improved cell safety index, making it a good candidate for further evaluation.

ChemInform Abstract: THIOINDIGO- CRYSTAL STRUCTURAL DATA FOR MODIFICATION II

1977 ◽  
Vol 8 (45) ◽  
Author(s):  
W. HAASE-WESSEL ◽  
M. OHMASA ◽  
P. SUESSE
Keyword(s):  
Structural Data ◽  
Crystal Structural Data ◽  
Crystal Structural

Thioindigo: Crystal structural data for modification II

1977 ◽  
Vol 64 (8) ◽  
pp. 435-435 ◽  
Author(s):  
W. Haase-Wessel ◽  
M. Ohmasa ◽  
P. S�sse
Keyword(s):  
Structural Data ◽  
Crystal Structural Data ◽  
Crystal Structural
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