Table 1.
CNa | R (Å)b | σ2×103 |
---|---|---|
4 Neq | 2.02±0.002 | 6.44 |
1 Oax short | 2.12±0.01 | 13.4 |
1 Oax long | 2.87±0.01 | 4.18 |
8 Cα | 3.04±0.04 | 7.94 |
8 Cβ, Nβ | 4.06±0.08 | 12.5 |
16 Neq-Cα msc | 3.09±0.01 | 19.7 |
8 Neq-Nβ ms | 4.38±0.13 | 13.8 |
16 Cα-Nβ ms | 4.22±0.03 | 2.18 |
32 Cα-Neq(trans) msd | 4.63±0.03 | 6.76 |
2 Ow | 3.83±0.03 | 4.62 |
6 Ow | 4.40±0.02 | 8.67 |
ΔE0 (eV) | −3.533 | |
F-value | 0.1237 |
CN=coordination number.
uncertainty is the statistical error from the fit.
“ms” is multiple scattering. All other interactions are single scattering.
triangular multiple scattering path 9; see Figure S7 in the Supporting Information.