解单晶系列教程1-NG伍锡博士无序教程.pptVIP

Finding the hydrogen atoms on water may be critical to the oxidation state of Co CHN % cannot differentiate oxidation state of Co. Unfortunately, for one water molecule, it is impossible to place one hydrogen anywhere without H…H 2.0 ?. Mis-assigning space groups because of disorder K2[(C2O4)3Zr].C2H2O4.H2O in Cc Flack parameter = 0.07 (Baggio et al., Inorg. Chem., 1997, 36, 737~739) The correct space group is C2/c; Zr lies on a twofold axis, and the oxalic acid and water are disordered with respect to each other. Incorrect space groups: Structures ordered in the lower-symmetry bu