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. Author manuscript; available in PMC: 2017 Sep 15.
Published in final edited form as: Chembiochem. 2016 Sep 7;17(18):1738–1751. doi: 10.1002/cbic.201600266

Table 1.

EXAFS curve-fitting parameters for 5 and 7.a

Cmpd Bond N R σ ΔE0 F
5 Se–C 2 1.957(5) 0.0021(4) −6(1) 0.6337
7 Se–C 2 1.955(4) 0.0024(2) −6.3(9) 0.5540
a

Coordination numbers N, interatomic distances R (Å), Debye-Waller factors (the mean-square deviations in interatomic distance) σ22), and threshold energy shifts ΔE0 (eV). The values in parentheses are the estimated standard deviations in the last digit obtained from the diagonal elements of the covariance matrix. The fit-error function F is defined by F=k6(χ(k)calcdχ(k)expt)2/χ(k)expt2 where χ(k) are the EXAFS oscillations and k is the photo-electron wave number given by k=2me2(EE0).