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
More filters
Journal ArticleDOI
Solid state characterization of the anti-HIV drug TMC114: Interconversion of amorphous TMC114, TMC114 ethanolate and hydrate
Elke Van Gyseghem,Sigrid Carl Maria Stokbroekx,Hector Novoa de Armas,Jules Dickens,Marc Vanstockem,Lieven Baert,Jan Rosier,Laurent Schueller,Guy Van den Mooter +8 more
TL;DR: Whereas TMC114 ethanolate is stable in the commercialized drug product, special conditions can trigger its conversion, and the amorphous form, prepared by melting-quenching shows a limited water uptake.
Journal ArticleDOI
Crystal structures and superoxide dismutase mimetic activity of [CuL2(Him)2]·MeOH and [CuL2(mim)2]·H2O [HL = 4-amino-N-(thiazol-2-yl)benzenesulfonamide, Him = imidazole, mim =N-methylimidazole]
TL;DR: In this paper, the crystal structures of the complexes [CuL2(Him)2]·MeOH 1 and [cuL 2(mim) 2]·H2O 2 [HL = 4-amino-N-(thiazol-2-yl)-benzenesulfonamide, Him = imidazole, mim = N-methylimidazoles] have been determined.
Journal ArticleDOI
Oxidative Addition of HX (X = H, SiR3, GeR3, SnR3, Cl) Molecules to the Complex Os(η5-C5H5)Cl(PiPr3)2
Miguel Baya,Pascale Crochet,Miguel A. Esteruelas,‡ and Enrique Gutiérrez-Puebla,Natividad Ruiz +4 more
TL;DR: The cyclopentadienyl complex Os(η5-C5H5)Cl(PiPr3)2 as discussed by the authors reacts with molecular hydrogen to give a mixture of the isomers transoid-dihydride OsH2( η5c5h5)CL(PiP3) (2a) and cisoid-dride hydride ligands of 2b undergo a thermally activated site exchange process and show quantum exchange coupling.
Journal ArticleDOI
Structure and Facile Unimolecular Twist-Rotation of cis-Bis(silyl)bis(phosphine)platinum and cis-Bis(stannyl)bis(phosphine)palladium Complexes
TL;DR: In this paper, the structures and fluxional behavior of two bis(silyl)bis(phosphine)platinum complexes (2), cis-[Pt(SiPh2Me)2(PMe2Ph)2] (2a), and two cis-bis(stannyl)bis (phosphin)palladium complexes (3), cis-Pd(SnMe3)2 (PMe3), and cis-[pd(snMe3]2(pMe3,2)2,PMePh2
Journal ArticleDOI
Bis{(2-diphenylphosphino)phenyl}mercury: A P-Donor Ligand and Precursor to Mixed Metal−Mercury (d8−d10) Cyclometalated Complexes Containing 2-C6H4PPh2
TL;DR: Compound 1 functions as a bidentate ligand of wide, variable bite angle that can span either cis or trans coordination sites in a planar complex, and is in the range expected for a weak metallophilic interaction.
References
More filters
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.