Interaction

curated

Interaction Scheme

Molecule

Sbf6
SbF6

Host

Bn12bu1
Bn12BU

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 2.60⋅105 ± 5.20⋅104 M-1
Kd =
logKa = 5.41 ± 0.09
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -30.91 ± 0.5 -7.39 ± 0.12
ΔH = -49.7 ± 4.97 -11.88 ± 1.19
-TΔS = 18.8 4.49
J mol-1 K-1 cal mol-1 K-1
ΔS = -63.1 -15.1
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Direct Binding Assay
Technique: Isothermal Titration Calorimetry
Molecule: syringe
Partner: cell
Detailed information about the solvation.
Solvent System Single Solvent
Solvent chloroform
Please find here information about the dataset this interaction is part of.
Citation:

V. Havel, V. Sindelar, SupraBank 2025, Anion Binding Inside a Bambus[6]uril Macrocycle in Chloroform (dataset). https://doi.org/10.34804/supra.20210928359

Link: https://doi.org/10.34804/supra.20210928359
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

V. Havel, V. Sindelar, ChemPlusChem 2015, 80, 1601–1606.

Link: https://doi.org/10.1002/cplu.201500345
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Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of SbF6 (7.692307692307693e-05 M) and Bn12BU (0 — 0.00015384615384615385 M).