Equivalent isotropic displacement coefficients

Table 1. Atomic coordinates (xlO ) and equivalent isotropic displacement coefficients (pm ) ...

Table H. Atomic Coordinates (XiQ ) and Equivalent Isotropic Displacement Coefficients (A X 10 ) for (RuFs)4...

Table 2 gives the atomic coordinates and equivalent isotropic displacement coefficients (B ) of carbon atoms with their estimated standard deviations for the all-/ra 5-/3-carotene single crystal at 293 K (see Fig. 1 for numbering of carbon atoms). In Table 2, coordinates for only half of the carbon atoms are listed since the all-tra/J5 -/3-carotene molecule has C, symmetry in the crystal. B s ofC(2) and C(3) atoms are larger values than those of other carbon atoms, which indicates the fluctuation of these atoms in the crystal. This observation is consistent with that of Senge et al. (1992). 

Table IV. INORGANIC FLUORINE CHEMISTRY TOWARD THE 21ST CENTURY Atomic Coordinates (xlO ) and Equivalent Isotropic Displac ent Coefficients (A xlCF) for BaAg[PFTB]3 (THF)4 ... 

In the simplest case of no interaction (A = 0, B = 0) there will be one line with its center at Hjes- If only one proton interacts isotropically (B = 0) with the radical electron then the spectrum will show two lines displaced from Hfes by A. If two equivalent nuclei interact with the electron then mi can assume the values +1, 0, and —1 so that a triplet of lines appears with distances of —A, 0, and +A from the center respectively. Since the state with mi = 0 appears twice as often as the other ones the individual resonance lines have intensities as 1 2 1. It may generally be said that n equivalent protons give rise to a spectrum with (n + 1) lines which show an intensity distribution given by the binomial coefficients of exponent n. For illustration Figure 6.1 shows the spectra of alkyl radicals —CH2—CH—CH2— in highly... 

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