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. 2014 Jul 10;86(15):7688–7695. doi: 10.1021/ac501722r

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
a

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.