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
Citations
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Journal ArticleDOI
X-Ray and theoretical structural study of novel 5,6,7,8-tetrahydrobenzo-4H-pyrans
Margarita Suarez,Esperanza Salfrán,Yamila Verdecia,Estael Ochoa,Livan Alba,Nazario Martín,Roberto Martínez,M. Quinteiro,Carlos Seoane,Héctor Novoa,Norbert Blaton,Oswald M. Peeters,Camiel J. De Ranter +12 more
TL;DR: In this article, the X-ray crystal structure of three substituted tetrahydrobenzo-4H-pyrans (6a-c ) is presented and the experimental findings compared with the theoretical values calculated at the semi-empirical (AM1, PM3) and ab initio (HF/6-31G∗) levels.
Journal ArticleDOI
Potentiometric and spectroscopic studies of transition-metal ions complexes with a quinolone derivative (cinoxacin). Crystal structures of new Cu(II) and Ni(II) cinoxacin complexes
TL;DR: In this paper, the interaction of cobalt, nickel, copper, and zinc with Cinoxacin (HCx = 1-ethyl-1,4-dihydro-4-oxo(1,3)dioxolo(4,5-g)cinnoline-3-carboxylic acid), a 4-quinolone derivative, has been studied at metal/ligand ratios of 1:1-1:3 by means of pH-metric, spectrophotometric, and ESR methods.
Journal ArticleDOI
Binding of salicylate in the adenosine-binding pocket of dehydrogenases.
TL;DR: A simple fluorometric method based on this competition is proposed for rapid screening of salicylate binding to other enzymes, such as kinases which have coenzyme binding domains similar to those found in dehydrogenases.
Journal ArticleDOI
Ligand effects on the structures of extended networks of dicyanamide-containing transition-metal ions.
TL;DR: The structural characterization of a series of complexes of formula [M(dca)2L]n, where dca = dicyanamide, L = 1,10-phenanthroline (phen) and 2,9-dimethylphenan Throline (2,9,dmphen) [9-12], has revealed the effect of the presence of the methyl substituents of L on the resulting network.
Journal ArticleDOI
Seven-Coordinate Dihydrido Complex OsH2(κ2-O2CCH3){κ1-OC(O)CH3}(PiPr3)2 as Precursor of New Organometallic Compounds Containing Unsaturated η1-Carbon Ligands
Pascale Crochet,Miguel A. Esteruelas,Ana M. López,María-Pilar Martínez,Montserrat Oliván,Enrique Oñate,Natividad Ruiz +6 more
TL;DR: In this paper, the coordination geometry around the osmium atom is rationalized as a distorted octahedron with the two phosphorus atoms of the phosphine ligands occupying apical positions.
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.