Journal ArticleDOI
A semi-empirical method of absorption correction
TLDR
An extension of Furnas's method is described in this paper, where the variation of intensity of an axial reflection as the crystal is rotated about the goniometer axis is used to give a curve of relative transmission T against azimuthal angle ϕ for the corresponding reciprocal lattice level.Abstract:
An extension of Furnas's method is described. The variation of intensity of an axial reflection as the crystal is rotated about the goniometer axis is used to give a curve of relative transmission T against azimuthal angle ϕ for the corresponding reciprocal lattice level. Transmission coefficients for any general reflexion hkl are then given approximately by T(hkl) = [T(ϕinc) + T(ϕret)]/2 where ϕinc and ϕret are the azimuthal angles of the incident and reflected beams. Equations are derived for (ϕinc and ϕret and the accuracy of the method is discussed.read more
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Copper(II) complexes of novel tripodal ligands containing phenolate and benzimidazole/pyridine pendants: synthesis, structure, spectra and electrochemical behaviour
TL;DR: In this paper, the same authors have shown that all the tri-and tetra-dentate tripodal ligands containing phenolic hydroxyl and benzimidazole or pyridine groups have a square pyramidal geometry around CuII.
Journal ArticleDOI
Peptide design 310-helical conformation of a linear pentapeptide containing two dehydrophenylalanines, Boc-Gly-ΔZPhe-Leu-ΔZPhe-Ala-NHCH3
TL;DR: A pentapeptide containing two dehydrophenylalanines (delta ZPhe) separated by one L-amino acid has been synthesized and its solid state conformation determined as discussed by the authors.
Journal ArticleDOI
Metal-metal electronic coupling in syn and anti stereoisomers of mixed-valent (FeCp)2-, (RhL2)2-, and (FeCp)(RhL2)-as-indacenediide ions.
Saverio Santi,Laura Orian,Christian Durante,Eva Zsuzsanna Bencze,Annalisa Bisello,Alessandro Donoli,Alberto Ceccon,Franco Benetollo,Laura Crociani +8 more
TL;DR: Despite their redox asymmetry, even in the heterobimetallic iron-rhodium as-indacenediide complexes, strong metal-metal coupling is present, in fact, oxidation of the iron centre is accompanied by electron transfer from rhodium to iron and formation of a reactive 17-electron r Rhodium site.
Journal ArticleDOI
Mixed-ligand copper( ii )-phenolate complexes: structure and studies on DNA/protein binding profiles, DNA cleavage, molecular docking and cytotoxicity
TL;DR: In this paper, the properties of the Cu(II) complexes with simple and mixed ligands were explored in detail using various spectral and electrochemical methods to gain insight into their structure-activity relationships, and molecular docking was also used to evaluate the interaction modes of the complexes with the molecular target DNA.
Journal ArticleDOI
Conformations Of Peptides Containing 1-Aminocyclohexane-Carboxylic Acid (Acc6) - Crystal-Structures Of 2 Model Peptides
TL;DR: The crystal structures of two peptides containing 1-aminocyclohexanecarboxylic acid (Acc6) are described in this paper, where the backbone conformational angles lie in between the values expected for ideal Type I or III β-turns.
References
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Book
International tables for X-ray crystallography
Norman Fordyce McKerron Henry,Lonsdale, Kathleen, Dame,John S. Kasper,Caroline H. MacGillavry,Gerard D. Rieck,James A. Ibers,Walter C. Hamilton +6 more
ReportDOI
A fortran program for calculating single crystal absorption corrections
D.J. Wehe,W.R. Busing,H.A. Levy +2 more
TL;DR: A Fortran program is described for calculating the absorption correction for application to single crystal x ray or neutron intensity measurements and is available in the form of symbolic punched cards.