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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Synthesis, properties and crystal structures of diastereomeric areneruthenium(II) chiral Schiff-base complexes
TL;DR: In this article, the diastereomeric ratios of 1.5 CHCl3 and 4-methylpyridine (4Me-py) were obtained in the presence of a low-energy barrier for the intermediate involved in these reactions, showing both retention and inversion of the metal configuration.
Journal ArticleDOI
Reactions of Ir(acac)(cyclooctene)(PCy3) with H2, HC⋮CR, HSiR3, and HSnPh3: The Acetylacetonato Ligand as a Stabilizer for Iridium(I), Iridium(III), and Iridium(V) Derivatives
TL;DR: In this article, the coordination geometry around the iridium atom can be rationalized as a distorted octahedron with the bicyclic ligand occupying three coordination sites of a octahedral face.
Journal ArticleDOI
Structural effects induced by mutagenesis affected by crystal packing factors: the structure of a 30-51 disulfide mutant of basic pancreatic trypsin inhibitor.
TL;DR: It is indicated that crystal packing can influence the observed perturbations in mutant structures as well as the nature of structural perturbation near 30–51.
Journal ArticleDOI
Übergangsmetallkomplexe cyclischer π‐Liganden, V. Kristall‐und Molekülstrukturen von zwei, Borabenzol”︁‐Derivaten: Bis(1‐methoxyborinato)kobalt und Bis(1‐methylborinato)kobalt
TL;DR: In this paper, the Atomabstande in den beiden Ringsystemen sind innerhalb der Fehlergrenzen gleich und deuten an, das in den Liganden zu einem gewissen Grad cyclische Konjugation vorliegt.
Journal ArticleDOI
Self-assembling of cytosine nucleoside into triply-bound dimers in acid media. A comprehensive evaluation of proton-bound pyrimidine nucleosides by electrospray tandem mass spectrometry, X-rays diffractometry, and theoretical calculations
Donatella Armentano,Giovanni De Munno,Leonardo Di Donna,Giovanni Sindona,Gianluca Giorgi,Laura Salvini +5 more
TL;DR: The gaseous phase, under high vacuum conditions, seems therefore a suitable environment where vanishing structures produced by ESI can be studied with a good degree of approximation.
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.