Porosity

N2 and CO2 gas adsorption isotherms

desolvated 1 bulk sample · Powder

N2 isotherm at 77 K and CO2 isotherm at 195 K for desolvated 1

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
CO2 adsorption uptake near P/P0 0.95	approximately 12.5-13 cm3 g^-1 STP at P/P0 about 0.95	12.8 cm^3 g^-1 STP	visual estimate ±1 cm3 g^-1	Figure Axis Approximate	5 · Supplementary Fig. S6 · Fig. S6
N2 adsorption uptake near P/P0 0.95	approximately 7.5-8 cm3 g^-1 STP at P/P0 about 0.95	7.8 cm^3 g^-1 STP	visual estimate ±1 cm3 g^-1	Figure Axis Approximate	5 · Supplementary Fig. S6 · Fig. S6
N2 and CO2 uptake	desolvated 1 almost rejects both N2 and CO2	—	—	Qualitative Qualitative	4 · 3.4. Guest adsorption · Fig. S6

compound 1 crystals · Single Crystal

10.0 mg air-dried compound 1 in 10 mL of 1 mM I2 aqueous solution; Cary 5000 spectrophotometer, 200-800 nm, room temperature

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
I2 UV-Vis monitoring band	460 nm	460 nm	—	Text Exact Reported	4-5 · 3.4. Guest adsorption · Fig. 3a; Fig. S8
equilibrium iodine adsorption capacityMarked as a best value within this paper	0.70 mmol g^-1	0.7 mmol g^-1	—	Text Rounded Reported	5 · 3.4. Guest adsorption · Fig. 3b
time to minimum iodine absorption	~1200 min	20 h	—	Text Approximate	5 · 3.4. Guest adsorption · Fig. 3a
pseudo-second-order adsorption rate k2	0.01763 x 10^-3 mol g^-1 min	0.00001763 mol g^-1 min^-1	—	Text Exact Reported	5 · 3.4. Guest adsorption · Fig. 3b
pseudo-second-order model R2	R2 = 0.950	0.95	—	Text Exact Reported	5 · 3.4. Guest adsorption · Fig. 3b