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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Dramatic Modifications of Magnetic Properties through Dehydration−Rehydration Processes of the Molecular Magnetic Sponges CoCu(obbz)(H2O)4·2H2O and CoCu(obze)(H2O)4·2H2O, with obbz = N,N‘-Bis(2-carboxyphenyl)oxamido and obze = N-(2-Carboxyphenyl)-N‘-(carboxymethyl)oxamido
Joulia Larionova,Suvarna A. Chavan,J. V. Yakhmi,Anne Gulbrandsen Frøystein,Jorunn Sletten,Claude Sourisseau,Olivier Kahn +6 more
TL;DR: In this article, the two compounds CoCu(obbz)4·2H2O (I) and Co2+Cu2+ pairs (in which the metal ions are bridged by an oxamide group) and noncoordinated water molecules were synthesized and their crystal structures were determined at room temperature.
Journal ArticleDOI
Crystallographic analysis of transition state mimics bound to penicillopepsin: difluorostatine- and difluorostatone-containing peptides.
TL;DR: The observed stereochemistry of the bound StoF2 group in the active site of penicillopepsin has stimulated the reappraisal of the catalytic pathway for the aspartic proteinases.(ABSTRACT TRUNCATED AT 400 WORDS)
Journal ArticleDOI
Synthesis, crystal structures, and nonlinear optical (NLO) properties of new Schiff-base nickel(II) complexes. Toward a new type of molecular switch?
Jean Pierre Costes,Jean François Lamère,Christine Lepetit,Pascal G. Lacroix,Françoise Dahan,Keitaro Nakatani +5 more
TL;DR: Qualitative ZINDO/SCI quantum chemical calculations indicate that, in [Ni(L)(MePhCHNH2)], the beta orientation strongly depends on the laser wavelength, raising the possibility for a new type of molecular switch.
Journal ArticleDOI
Structure of myoglobin-ethyl isocyanide. Histidine as a swinging door for ligand entry.
TL;DR: The structure of myoglobin(Fe II)-ethyl isocyanide has been solved at 1.68 A resolution by X-ray crystallography and outward movements of His-E7 and Arg-CD3 side-chains suggest a mechanism for ligand entry.
Journal ArticleDOI
Intermolecular recognition between hydrocarbon oxygen-donors and perfluorocarbon iodine-acceptors: the shortest O⋯I non-covalent bond
TL;DR: In this article, the authors show that the O⋯I-RF halogen interaction is strong enough to drive the self-assembly of perfluorocarbon and hydrocarbon modules into discrete aggregates or one dimensional infinite networks.
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.