Table 2. Results Obtained from the Custom Grid–Monte Carlo Analysis Using Velocity Data for M4Ag44(p-MBA)30 Compared to the Zeno Prediction Based on the X-ray Crystallographic Structure Published in Ref (31)a.
analysis | ν̅ (mL/g) | φ | M (fixed) | s20,w (×10−13 s) | D20,w (×10−6 cm2/s) | Rh (Å) |
---|---|---|---|---|---|---|
Custom Grid | 0.27 (0.21, 0.32) | 1.46 (1.23, 1.70) | 9621.8 g/mol | 4.19 (3.91, 4.46) | 1.45 (1.31, 1.59) | 14.0 (12.7, 15.5) |
Zeno | 0.239 | 1.245 | 5.33 | 1.85 | 12.1 |
Values in parentheses reflect the 95% confidence intervals from the Monte Carlo analysis. The values predicted by Zeno do not consider bound waters, which explains the discrepancies in ν̅, φ, and Rh.