WebPotential users of the Bruker SHELXTL version should contact Susan Byram (fax: +1(608)276-3006; email [email protected]) at Bruker AXS in Madison, Wisconsin, USA or Eric Hovestreydt (fax: +49(721)595-4506; email [email protected]) at Bruker AXS in Karlsruhe, Germany. Back to main menu WebOct 1, 2024 · Space group P2 1 /c (no. 14) was identified on the basis of the extinction conditions and used for the structure solution (SHELXTL-XT-2014/4) and refinement. The program suite WinGX-2013.3 [ 51 ] employing Shelxl -2013 [ 52 , 53 ] was used for the parameter refinement (full-matrix least-squares against F 2 ).
A Guide to Using SHELXTL - University of Illinois Urbana-Champaign
http://www.csb.yale.edu/userguides/datamanip/shelx/shelx.htm WebSep 1, 2024 · The four structures were solved by intrinsic phasing method with SHELXTL XT and refined anisotropically by full matrix least-squares on F 2 with SHELXTL XLMP . The final R 1 (F 2) [F 2 > 2σ(F 2)] values are a bit high in the range of 5.5–7.2% due to the disordered methoxy groups and solvent molecules. colitis in old cats
The SHELX homepage - Yale University
Webwith SHELXTL XT [2] and refined anisotropically by full matrix least-squares on F2 with SHELXTL XLMP [3]. The final R 1 (F2) = 0.0524 and wR(F2) = 0.1170 for 4045 data with F2 … WebThe structure was solved and refined using the Bruker SHELXTL Software Package, using the space group P4 2/mnm, with Z = 4 for the formula unit, Ba 3S 7Zr 2.The final anisotropic full-matrix least-squares refinement on F 2 with 40 variables converged at R1 = 2.45%, for the observed data and wR2 = 5.48% for all data. The goodness-of-fit was 1.127. WebNov 1, 2024 · The structures were solved by dual space methods with Bruker SHELXTL XT [26]. Fourier-difference map analyses yielded the positions of the non-hydrogen atoms, and refinements were carried out with the Bruker SHELXTL XL package [27]. colitis instructions